data_2fj6_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 2fj6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.6 pttm -150.58 97.01 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 2' ' ' LYS . 21.6 t 9.08 104.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.504 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -47.72 -33.15 6.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -63.02 -45.35 92.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.7 m-70 -68.39 -40.87 81.2 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.672 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -56.2 -48.77 75.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.3 mt -59.01 -24.94 63.24 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.992 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -72.87 -17.8 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' C ' ' H ' ' A' ' 13' ' ' HIS . 33.5 m-85 -112.59 44.46 1.46 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 13' ' ' HIS . 41.1 mtp180 -58.26 -6.95 0.72 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.326 0.584 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.513 ' H ' ' C ' ' A' ' 11' ' ' TYR . 20.4 m80 27.81 78.91 0.25 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.559 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.51 -2.1 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.211 1.941 . . . . 0.0 111.437 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -145.93 74.77 13.24 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.247 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -43.89 139.77 5.37 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 123.191 2.594 . . . . 0.0 112.915 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -150.75 -60.04 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.14 163.23 20.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -53.63 -43.93 69.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.3 tt -66.49 -33.19 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.5 m -64.39 -51.09 64.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.48 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 6.0 pt-20 -60.2 -38.55 83.63 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.211 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -63.18 -42.82 99.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.387 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.15 67.15 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.522 ' OD1' ' HA ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -59.12 -40.9 86.83 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.267 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.0 -50.06 72.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.73 68.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -57.85 -30.34 65.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.26 -7.45 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -81.44 71.01 8.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.011 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.81 -13.04 40.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -96.73 -2.91 43.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.5 t80 -49.12 138.12 13.94 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.389 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 52.5 Cg_endo -69.4 68.15 1.5 Allowed 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.603 2.202 . . . . 0.0 112.057 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -57.88 -35.01 70.38 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -96.46 41.19 1.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 t 179.42 107.42 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 107.73 12.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.205 0.526 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.42 127.59 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -48.09 -53.61 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.003 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -63.29 -51.29 66.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.72 -51.97 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.604 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.13 -35.33 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.846 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -54.1 -50.42 66.89 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -63.98 -32.53 74.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.72 -35.87 73.37 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.221 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -50.14 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.89 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.13 -19.42 65.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.72 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.87 -11.76 49.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.667 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -147.73 125.12 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.13 1.94 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.513 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 4.5 m-20 -56.67 -41.02 76.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.268 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.48 -18.37 20.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.806 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.49 -36.86 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -78.53 5.32 11.12 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -144.53 31.46 1.2 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -38.66 87.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.025 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.74 67.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -72.7 -45.45 58.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.47 -50.44 73.74 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -42.99 71.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.135 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.19 -41.75 89.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -46.72 89.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.897 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -55.13 -48.47 73.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -52.51 -39.0 60.8 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.169 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -72.86 -43.5 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.931 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.486 ' HH ' ' H ' ' A' ' 2' ' ' LYS . 73.3 t80 -56.11 -59.16 5.32 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.761 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.642 ' O ' ' N ' ' A' ' 72' ' ' HIS . 2.0 pp20? -57.87 -37.86 74.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 121.03 0.443 . . . . 0.0 110.468 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -58.08 -33.61 69.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.13 -31.35 25.26 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.425 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.439 ' CG2' ' HZ3' ' A' ' 2' ' ' LYS . 4.8 t -97.68 -55.03 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.269 0.556 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.642 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.9 t60 -70.67 -5.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.329 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -94.64 -11.25 29.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 15.5 m 100.65 131.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.064 0.852 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' H ' ' HB ' ' A' ' 38' ' ' THR . 61.4 t80 -55.37 -38.12 68.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -67.81 -34.26 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.498 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 11.9 m170 -67.28 -44.58 78.94 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -57.7 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.98 -27.16 65.13 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.473 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.9 mt -58.52 -22.76 56.29 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.085 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -65.67 -17.08 64.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 109.961 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 13' ' ' HIS . 24.5 m-85 -99.02 52.92 0.97 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.618 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 59.8 mtm180 -53.03 61.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.586 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.631 ' N ' ' O ' ' A' ' 11' ' ' TYR . 48.3 p-80 28.32 50.21 0.3 Allowed Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.37 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.618 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 82.1 Cg_endo -79.7 -92.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.144 1.896 . . . . 0.0 112.2 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.42 93.89 17.38 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.107 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.01 125.95 13.19 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.711 2.274 . . . . 0.0 112.621 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -151.9 -49.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.824 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.2 154.86 25.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -53.54 -44.94 69.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.152 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 21' ' ' SER . 4.4 tt -65.08 -42.21 93.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.774 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 44.9 m -64.91 -48.94 72.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.076 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.62 -37.47 75.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.04 -41.42 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.647 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 4.9 m120 -56.19 -48.37 76.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.09 -51.22 68.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.027 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.37 68.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.9 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.94 26.87 0.69 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.71 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -160.46 87.31 0.76 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.013 0.435 . . . . 0.0 110.663 179.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' NE2' ' HZ2' ' A' ' 35' ' ' LYS . 23.7 t-80 -68.57 29.25 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.455 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.552 ' H ' ' C ' ' A' ' 30' ' ' ASP . 80.0 p -107.04 -12.87 15.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.576 0.226 . . . . 0.0 110.803 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 1.6 t80 -47.55 141.14 7.29 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 47.7 Cg_endo -69.55 53.94 1.05 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.74 2.293 . . . . 0.0 112.566 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HZ2' ' NE2' ' A' ' 31' ' ' HIS . 16.2 pttt -57.75 -24.3 56.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -94.15 27.59 2.8 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t 177.5 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.709 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.443 ' HB ' ' H ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.19 107.81 18.77 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.303 0.573 . . . . 0.0 110.675 -179.578 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.71 133.56 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.612 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -47.09 -48.09 22.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -64.05 -47.72 79.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.267 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.82 -51.38 69.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.25 -41.72 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.182 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -51.52 -48.6 62.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.27 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.5 t -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.78 -36.13 73.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.6 mt -73.72 -45.73 50.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -64.25 -30.02 71.09 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.265 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 -12.59 55.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -148.97 105.56 3.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.46 42.02 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.153 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.29 -27.62 68.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -94.9 -19.42 20.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.647 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 56' ' ' THR . 6.8 tp -51.35 -23.82 4.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.608 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 10.7 t-160 -72.58 23.64 0.06 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.152 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 54' ' ' LEU . 1.9 t -146.59 11.37 1.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.374 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -48.64 48.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.95 73.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.339 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 m -73.84 -42.45 60.83 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -57.18 -50.52 72.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.05 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.25 -48.38 71.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.037 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.96 -40.43 91.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.632 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.82 88.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.267 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -54.32 -48.05 71.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.243 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.62 -41.08 63.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.072 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -70.45 -46.07 64.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.691 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -52.81 -54.7 30.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.04 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 39.6 mm-40 -54.45 -48.95 71.13 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.61 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -52.66 -27.76 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.81 -54.42 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.88 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.1 -16.51 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 58.0 t-80 -76.72 -15.94 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.232 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.602 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 158.29 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.733 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -59.99 138.56 57.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.684 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -56.08 -42.53 76.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.89 -39.9 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 3.8 m-70 -67.5 -49.18 64.65 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.12 -47.89 74.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.49 -31.35 67.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.122 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.5 mt -61.21 -24.08 66.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -69.39 -17.61 63.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -98.11 49.08 1.0 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -37.07 152.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.016 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.559 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.1 -51.31 14.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.046 -179.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 13' ' ' HIS . 97.9 Cg_exo -38.37 112.95 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.713 2.275 . . . . 0.0 113.227 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt 62.28 67.87 1.15 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.589 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -71.26 173.22 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.434 2.09 . . . . 0.0 110.889 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -77.26 0.16 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.48 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.03 163.58 24.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.94 0.4 . . . . 0.0 111.509 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -53.61 -41.02 66.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 21' ' ' SER . 10.0 tt -61.56 -38.43 80.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.003 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 7.4 m -64.09 -46.56 83.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.524 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.42 -39.49 79.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.382 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.03 -39.99 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -45.07 81.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.27 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.501 HD21 ' CD2' ' A' ' 13' ' ' HIS . 3.7 m120 -56.6 -40.8 75.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.44 -51.38 63.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -59.93 -29.45 68.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -85.07 0.29 52.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -79.14 -177.98 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.406 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -175.09 26.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -135.9 -18.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.2 t80 -48.78 136.32 13.45 Favored Pre-proline 0 C--N 1.334 -0.08 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.628 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 37.9 Cg_endo -67.71 64.39 0.87 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.716 2.277 . . . . 0.0 112.031 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.65 -24.4 33.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -95.75 33.99 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.962 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t 179.96 152.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.922 0.391 . . . . 0.0 110.387 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 107.76 5.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.255 0.55 . . . . 0.0 109.891 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' H ' HD12 ' A' ' 43' ' ' ILE . 12.5 t70 -143.63 122.16 12.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.085 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -52.66 -54.15 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.951 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -61.59 -50.6 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.02 -51.26 70.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.665 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.438 HD12 ' H ' ' A' ' 39' ' ' ASP . 4.4 mt -68.07 -41.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -53.99 -42.24 68.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.091 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -64.04 -43.9 94.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.28 -46.15 89.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.51 -41.45 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.24 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -45.72 87.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.618 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.51 -36.65 84.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -67.75 122.55 18.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.084 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.83 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -92.04 -8.87 44.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.217 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.85 -29.15 39.86 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.688 0.28 . . . . 0.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 36.49 1.7 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.818 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 p -145.92 21.26 1.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.75 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmt -57.25 -34.06 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.06 85.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.125 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -72.59 -39.24 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.904 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.1 -50.14 69.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.5 -46.94 73.54 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.28 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.73 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.95 83.85 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.46 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -55.93 -45.32 78.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.063 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.32 -41.32 62.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.74 -45.06 62.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -52.15 -56.87 11.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.868 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' HIS . 8.9 tp10 -55.25 -40.52 71.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.228 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -58.14 -30.32 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.228 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.39 -30.93 26.99 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.007 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.5 t -90.97 -14.69 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.243 0.544 . . . . 0.0 109.899 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' GLU . 75.0 t60 -74.42 -11.77 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.547 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.3 ptmt -89.1 106.95 18.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.522 ' C ' ' O ' ' A' ' 2' ' ' LYS . 30.6 m 7.83 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.954 0.783 . . . . 0.0 112.584 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -48.96 -32.17 8.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.77 -44.85 84.59 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.322 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.9 m-70 -67.47 -36.45 81.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.483 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.4 -48.5 76.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tp -60.35 -28.88 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.893 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 10.6 mt -58.53 -23.27 57.8 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.823 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -66.32 -21.01 66.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.16 44.95 1.04 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -34.96 147.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.573 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.553 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -67.15 -41.43 34.49 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.648 -179.115 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 79.8 Cg_exo -44.73 100.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.355 2.037 . . . . 0.0 112.576 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tttm 71.17 76.28 0.23 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.601 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.43 123.28 6.98 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.499 2.133 . . . . 0.0 111.22 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -91.61 -80.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -80.48 169.45 17.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.169 0.509 . . . . 0.0 111.817 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -53.92 -40.13 66.45 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.968 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 21' ' ' SER . 15.5 tt -59.85 -41.32 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 11.2 p -64.47 -41.06 96.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.023 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.33 -41.43 84.58 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.974 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -39.03 86.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.21 -46.74 72.55 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.381 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -56.56 -48.91 76.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.244 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -63.52 -44.33 94.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.07 -41.82 93.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.395 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -87.22 37.86 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.57 157.48 27.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.777 0.322 . . . . 0.0 110.404 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -62.46 -77.34 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m -146.24 49.13 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.409 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 22.6 t80 -46.18 137.66 6.4 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.171 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 35.2 Cg_endo -66.02 72.37 0.36 Allowed 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.701 2.268 . . . . 0.0 112.39 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -57.62 -27.7 63.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.567 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 p -99.86 41.79 1.14 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.929 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.21 135.29 0.09 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 108.87 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.211 0.529 . . . . 0.0 110.086 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -143.38 126.49 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -52.87 -49.74 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.314 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.82 -52.16 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.71 -39.5 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.695 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -53.24 -48.58 68.08 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.425 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -63.03 -38.52 91.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.41 -47.66 84.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.88 -40.6 72.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.494 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.81 -41.43 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.216 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.47 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.124 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.49 123.16 19.27 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.74 -0.466 . . . . 0.0 109.74 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.49 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.086 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -93.96 -9.36 37.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.18 -44.56 61.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -90.19 32.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.27 20.56 1.38 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.0 mmm -68.36 -35.09 77.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.85 68.97 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.761 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.1 -49.81 70.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.7 -44.42 63.15 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.8 -40.45 96.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.514 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.65 89.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.965 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -55.11 -47.97 74.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.562 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.27 -40.67 62.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.39 -42.55 65.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.029 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.68 -57.7 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 10.6 pt-20 -56.59 -48.59 77.07 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.196 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 p -52.49 -27.9 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.675 0.274 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.13 -56.01 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 112.071 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.05 -17.25 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 37.6 t60 -78.73 -16.26 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.608 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.401 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -59.2 158.27 9.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.487 ' HG ' ' H ' ' A' ' 6' ' ' HIS . 0.9 OUTLIER -59.18 140.86 55.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -67.82 -34.43 76.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.487 ' H ' ' HG ' ' A' ' 3' ' ' SER . 2.2 m-70 -67.96 -52.11 39.77 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.814 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.66 -51.8 67.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.06 -25.32 61.09 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.218 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -23.09 59.2 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.024 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -68.06 -16.93 64.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.353 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -95.4 46.55 1.11 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . 18.4 mtm180 -34.49 149.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.834 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -71.14 -36.72 5.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.1 -179.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 10.7 Cg_exo -66.38 21.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.011 1.807 . . . . 0.0 113.154 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 13' ' ' HIS . 24.1 tttt -170.17 70.42 0.6 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.041 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -87.57 102.11 0.5 Allowed 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.622 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -89.02 -76.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.56 172.03 11.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.142 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -52.05 -42.67 63.3 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 tt -60.62 -35.27 62.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.94 -43.58 95.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.89 -38.92 87.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.84 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.47 -47.77 84.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.06 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.445 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 13' ' ' HIS . 1.3 t-20 -53.75 -48.76 69.39 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.387 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.6 -50.43 72.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.412 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.52 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.31 -30.72 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.12 0.28 49.12 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.025 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.43 178.01 8.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.783 0.325 . . . . 0.0 110.686 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -173.15 24.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -139.04 -1.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.44 138.69 28.9 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.49 61.86 4.39 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.605 2.203 . . . . 0.0 111.721 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.36 -25.1 48.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.742 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 t -97.07 33.0 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.2 t 179.2 98.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.0 107.88 18.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.909 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -144.6 127.07 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.445 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -46.58 -47.82 19.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.414 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -62.97 -50.48 70.61 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.972 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.96 -47.94 84.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mm -65.87 -50.07 72.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.776 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -51.52 -45.07 62.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.8 p -63.84 -33.91 76.74 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -59.35 -37.06 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.092 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.99 -48.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.152 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -22.47 66.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.65 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.68 -12.07 50.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -148.86 120.23 7.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.293 0.568 . . . . 0.0 110.922 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.32 8.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.091 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.77 -31.21 66.3 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.949 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -95.63 -22.64 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.43 -26.24 29.62 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -83.98 7.26 18.98 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 27.24 1.1 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.43 -38.58 81.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.235 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.69 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.954 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.6 m -73.61 -42.34 61.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.87 -50.72 65.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.35 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.81 -44.93 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.199 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.45 -40.23 92.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.125 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.79 88.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.064 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -54.83 -48.2 73.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -52.37 -40.45 62.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.341 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -70.95 -44.11 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -52.06 -55.93 17.57 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' HIS . 13.6 mm-40 -54.82 -50.59 68.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.9 t -51.59 -29.25 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -83.44 -56.01 3.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.73 13.16 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.995 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' GLU . 31.4 t60 -77.43 -19.09 56.58 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.293 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.864 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.687 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mmt . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -90.04 99.63 12.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.599 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.533 ' C ' ' O ' ' A' ' 2' ' ' LYS . 53.3 m 3.16 108.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.92 0.762 . . . . 0.0 112.365 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -47.07 -33.88 5.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -58.98 -45.5 90.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.6 m-70 -68.32 -39.03 82.12 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.19 -48.39 73.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.42 -32.78 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.347 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.0 mt -60.82 -23.0 64.75 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.55 -31.07 71.56 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ARG . 75.1 m-85 -89.95 10.6 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.242 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' TYR . 5.6 tpp180 25.19 -138.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.142 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.538 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 21.8 p-80 -161.79 56.67 0.7 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 95.5 Cg_endo -88.69 -94.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 123.212 2.608 . . . . 0.0 111.841 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 14' ' ' PRO . 20.7 mtpp -114.09 85.23 9.89 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.888 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.73 157.99 47.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.813 2.342 . . . . 0.0 113.11 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -151.66 -42.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.625 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -82.91 155.24 24.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.028 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.083 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 21' ' ' SER . 11.3 tt -62.96 -38.99 83.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.013 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 2.9 m -63.15 -49.04 75.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.79 -37.81 77.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.64 -48.71 71.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.445 HD21 ' HB2' ' A' ' 13' ' ' HIS . 4.8 m120 -57.83 -48.31 80.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -62.99 -49.87 73.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -29.54 63.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -59.51 -32.53 70.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.15 -7.95 57.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -80.93 81.27 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 110.627 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -67.03 -1.33 4.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.079 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -98.87 -15.18 19.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.812 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.5 t80 -47.08 112.23 1.9 Allowed Pre-proline 0 CA--C 1.53 0.194 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.58 78.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.861 2.374 . . . . 0.0 112.682 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' PHE . 25.6 mtmm -60.81 -32.99 72.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 t -99.57 43.1 1.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.95 134.79 0.07 Allowed 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.5 107.3 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.307 0.575 . . . . 0.0 109.597 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -145.0 128.09 16.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.557 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.01 -54.18 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.586 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.31 -50.85 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.98 -51.78 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.471 HD12 HG23 ' A' ' 43' ' ' ILE . 61.1 mt -67.57 -42.58 86.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.189 -179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -52.08 -41.47 62.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -63.41 -43.81 96.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.09 -38.82 84.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.243 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.14 -44.0 55.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.317 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -41.67 97.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.585 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.73 -36.88 84.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.6 113.12 5.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.924 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -25.82 62.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.7 -47.67 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.757 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -92.21 -6.1 51.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.562 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.5 tp -49.62 -39.69 36.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -96.48 44.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.938 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 m -143.69 1.86 1.19 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -38.24 55.22 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.21 88.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.9 m -72.9 -45.76 56.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.695 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.04 -50.4 72.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.65 -48.99 68.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.413 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.79 -42.7 97.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.99 83.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.195 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -56.95 -46.84 81.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -52.32 -42.88 64.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.295 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.51 -43.39 66.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.344 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -54.04 -58.13 8.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 72' ' ' HIS . 18.9 tt0 -55.5 -43.04 75.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -56.68 -29.76 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.325 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.86 -30.69 28.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.955 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.94 -16.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.0 110.152 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' GLU . 59.2 t60 -78.0 -7.42 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.608 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.427 ' H3 ' ' H ' ' A' ' 2' ' ' LYS . 5.3 ptm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.427 ' H ' ' H3 ' ' A' ' 1' ' ' MET . 8.6 tttp 68.06 104.81 0.05 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.125 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 136.11 57.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -55.34 -42.77 74.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.496 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.19 -41.34 99.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 21.9 m80 -66.32 -49.05 68.32 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.714 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.67 -52.37 65.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.31 -26.07 62.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.389 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.1 mt -60.05 -24.75 64.8 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.831 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -71.53 -18.16 62.28 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -95.79 46.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -41.86 160.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.835 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.716 ' ND1' ' H ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -69.48 -57.47 6.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.515 -178.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 82.8 Cg_exo -33.47 118.52 0.1 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 123.128 2.552 . . . . 0.0 113.491 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 68.26 57.01 0.7 Allowed Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.229 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 156.37 54.82 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.229 1.953 . . . . 0.0 110.881 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -149.15 -63.45 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.862 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.77 159.9 26.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 111.061 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -52.86 -44.25 66.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.479 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.6 tt -61.41 -35.44 66.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.804 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -64.34 -48.34 75.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.123 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.44 -38.4 77.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.29 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.35 -43.0 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.25 -44.99 76.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.15 -48.52 76.13 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.87 -49.87 68.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.06 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.49 -33.56 68.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.716 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 89.1 t80 -60.48 -27.47 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.099 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.78 -6.52 59.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.12 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.69 81.64 7.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.006 0.432 . . . . 0.0 110.167 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' HD1' ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -63.46 -10.1 15.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.984 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.454 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 93.1 p -97.0 -5.14 38.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -50.61 132.74 27.1 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.552 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.21 55.78 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.542 2.161 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.8 -24.91 38.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -98.53 32.35 2.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 104.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.15 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.7 t -105.18 108.35 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.991 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -144.19 125.54 14.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.315 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 44' ' ' SER . 81.5 t80 -50.82 -51.54 50.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.759 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.38 -51.21 69.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 0.0 111.572 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.74 -40.27 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 27.7 t -51.84 -50.95 59.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.679 0.276 . . . . 0.0 110.753 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -63.35 -39.91 95.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.742 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.84 -45.49 92.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.25 -36.02 66.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.353 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.85 -48.84 75.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.156 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.72 -36.58 83.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.24 113.52 5.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.137 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.82 71.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.95 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.36 -33.95 77.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -94.43 -20.52 19.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.1 tp -55.36 -38.17 68.47 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -68.61 1.65 3.02 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.636 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -144.44 33.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.968 0.413 . . . . 0.0 110.785 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -34.45 76.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.317 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.56 73.76 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.799 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 m -71.96 -38.63 69.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -63.39 -49.65 72.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.854 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -51.7 -45.86 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.936 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.35 -39.56 89.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.205 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.23 85.64 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.083 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -55.69 -47.1 77.35 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.049 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -52.42 -39.19 60.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.875 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.82 -47.05 64.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.766 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -51.59 -54.89 22.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.076 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 72' ' ' HIS . 47.5 mt-10 -55.4 -50.32 70.04 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -50.61 -27.44 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.196 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.36 -54.47 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.773 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.45 -16.68 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.5 t60 -76.82 -1.87 30.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.691 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 179.479 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -51.36 154.63 1.69 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.649 -179.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -58.42 135.66 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.58 -38.6 69.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.18 -39.11 91.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -67.14 -52.23 44.16 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.2 -50.56 69.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.42 -28.88 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.948 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -23.47 61.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -68.96 -19.99 64.18 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.15 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' ARG . 31.6 m-85 -90.68 14.61 12.93 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.978 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' TYR . 49.3 mtm180 20.22 -136.83 0.0 OUTLIER 'General case' 0 C--N 1.341 0.209 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.567 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -162.21 41.82 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.606 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 73.8 Cg_endo -87.53 99.19 0.46 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.475 2.117 . . . . 0.0 111.952 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 46.02 85.3 0.17 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 120.71 0.29 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 161.39 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.705 2.27 . . . . 0.0 112.751 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -146.69 -43.9 0.19 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.99 152.96 26.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.238 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -53.67 -45.46 70.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.203 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 tt -64.98 -36.03 76.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 2.6 m -62.37 -46.49 88.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.54 -38.25 77.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.084 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.28 -41.11 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.672 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -48.47 75.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.153 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.54 HD21 ' HB2' ' A' ' 13' ' ' HIS . 4.6 m120 -56.47 -47.06 79.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -62.21 -50.75 70.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.59 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -29.32 64.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.55 -35.84 77.0 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.38 26.83 1.01 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 18.0 p-10 -78.2 -177.39 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.563 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 1.6 m80 -174.9 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.8 t -99.96 -14.4 18.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.277 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.444 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 58.6 t80 -49.47 139.02 15.29 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.413 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 44.1 Cg_endo -70.32 55.64 1.53 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -56.04 -25.13 43.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.618 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -95.6 40.59 1.11 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.25 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.33 118.38 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 t -107.68 107.19 17.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.214 0.53 . . . . 0.0 110.007 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -146.13 120.93 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.582 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -56.71 -46.3 81.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.53 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -62.03 -52.62 63.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -62.89 -50.96 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.32 . . . . 0.0 111.441 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.693 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -52.62 -48.66 66.2 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -63.41 -36.0 82.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.423 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -59.01 -40.29 84.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.7 -45.64 61.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.808 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.32 -26.0 68.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.87 -10.95 42.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.701 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.561 HD21 ' H ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -147.42 112.35 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.245 0.545 . . . . 0.0 110.655 -179.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.14 -23.89 2.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.834 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.561 ' H ' HD21 ' A' ' 50' ' ' ASN . 8.4 m-20 -57.63 -30.38 65.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.496 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.35 -23.0 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.539 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 56' ' ' THR . 52.1 tp -54.03 -39.92 66.6 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.92 10.19 1.26 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.027 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.406 ' H ' ' C ' ' A' ' 54' ' ' LEU . 20.1 p -140.26 3.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.332 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 57' ' ' MET . 10.7 tpp -52.51 -30.54 30.86 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.12 98.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.141 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -73.34 -39.86 64.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -57.8 -50.49 73.09 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -54.95 -48.17 73.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.997 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.49 -39.14 93.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.6 89.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.14 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -54.62 -49.13 71.23 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.332 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -52.49 -41.55 63.48 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.099 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.22 -45.01 64.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.934 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -52.82 -57.38 10.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.028 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 72' ' ' HIS . 22.9 mm-40 -54.19 -44.59 71.7 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -55.14 -30.49 59.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.585 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -31.15 26.36 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.066 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 ' C ' ' H ' ' A' ' 73' ' ' GLY . 3.0 t -92.48 -54.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 68' ' ' GLU . 10.0 t-80 -70.32 5.1 1.87 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.467 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 71' ' ' VAL . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 3' ' ' SER . 1.1 ptmm? -152.99 -10.27 0.16 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 9.4 t 101.13 127.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.817 0.698 . . . . 0.0 110.447 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.52 -44.9 81.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.51 -46.21 89.49 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 25.8 m-70 -66.64 -42.12 87.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -57.49 -47.59 81.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.08 -29.12 68.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.412 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 3.8 mt -59.32 -24.21 63.13 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.461 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -69.72 -22.22 63.41 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -95.42 46.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.673 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.5 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.519 -1.218 . . . . 0.0 112.399 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' A' ' 25' ' ' ASN . 2.1 t60 -66.53 -46.28 58.34 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 54.8 Cg_exo -47.34 129.43 16.06 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.531 2.154 . . . . 0.0 113.146 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 53.32 61.48 10.86 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.989 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 18' ' ' ASP . 89.1 Cg_endo -80.73 -99.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.691 2.261 . . . . 0.0 111.729 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt 75.18 -22.25 0.27 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.429 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 16' ' ' PRO . 4.4 m-20 -82.82 142.11 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -53.85 -45.57 70.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 21' ' ' SER . 13.1 tt -65.63 -44.08 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.097 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 35.9 p -65.58 -37.8 87.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.381 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.31 -39.35 75.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -61.4 -44.71 96.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.48 90.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.898 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.632 HD21 ' ND1' ' A' ' 13' ' ' HIS . 17.4 m120 -54.95 -47.49 74.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.329 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.4 -51.09 68.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.66 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.625 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.71 -26.45 68.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.49 1.25 49.64 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.5 -165.89 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -176.65 -29.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.239 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -93.9 -3.21 52.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.364 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 43.1 t80 -49.43 138.95 15.13 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.282 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 41.0 Cg_endo -68.32 57.39 0.93 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.724 2.282 . . . . 0.0 112.408 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -24.44 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -96.32 33.53 1.76 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t 177.5 123.14 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.182 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 t -126.49 109.01 11.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.237 0.542 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.2 t0 -144.43 128.44 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.121 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -45.88 -47.06 16.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.204 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -63.03 -48.51 78.41 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.371 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.93 -50.85 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.29 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 39' ' ' ASP . 37.6 mm -63.85 -49.16 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -50.42 -41.04 51.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.55 -39.73 94.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.347 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.86 -35.77 75.49 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.345 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 mt -74.83 -49.49 20.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.15 -23.49 67.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.78 -13.03 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.744 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -149.54 114.99 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -23.03 13.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.31 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -27.02 61.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -94.63 -22.88 17.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.609 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.92 -33.42 64.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.63 6.08 2.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -146.83 13.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.076 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.2 tpp -52.52 -39.7 61.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.22 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.32 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -72.42 -35.57 68.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.168 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -62.55 -49.81 73.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.917 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -53.98 -44.87 71.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.177 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.61 -45.23 91.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.25 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.62 89.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -55.02 -46.65 75.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.85 -38.49 61.54 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.89 -43.33 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.083 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -52.6 -57.83 8.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.516 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 11.4 pt-20 -56.11 -47.0 78.91 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 19.0 t -51.74 -28.0 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.297 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -82.86 -54.56 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.863 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.77 -14.25 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 34.7 t60 -75.72 3.07 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.641 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 169.39 7.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -58.66 123.01 14.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.71 -43.36 72.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.95 -43.47 86.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.539 ' HD1' ' N ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -67.13 -49.58 64.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -54.95 -53.35 56.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.94 -28.5 62.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.814 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.39 -32.28 72.21 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.934 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -75.85 -16.85 60.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.52 35.79 1.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.547 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 15.0 mtm180 -54.72 168.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 21' ' ' SER . 3.0 t60 -164.6 58.3 0.61 Allowed Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.441 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -41.06 137.68 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.591 2.194 . . . . 0.0 110.359 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 27.8 mmtm 65.12 54.45 1.16 Allowed Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 45.0 Cg_exo -35.96 150.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 124.252 3.301 . . . . 0.0 114.377 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 18' ' ' ASP . 16.7 ptmt -152.28 -47.5 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.226 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 35.1 t70 -84.39 156.96 21.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.574 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 m -57.51 -45.84 84.48 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.765 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.77 -34.84 73.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.892 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.436 ' OG ' ' HA ' ' A' ' 16' ' ' PRO . 1.2 t -61.51 -46.04 91.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.243 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.47 -43.34 97.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.859 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.16 -51.4 68.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.275 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.1 67.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.659 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -60.55 -35.34 75.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.52 -48.38 79.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.643 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.82 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -60.56 -47.87 84.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.22 6.02 44.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.625 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 58.4 m-20 -77.88 169.4 18.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 12.1 m-70 -171.54 31.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.292 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -145.88 67.92 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.812 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 10.6 t80 -179.72 142.97 0.37 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.919 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 1.4 Cg_endo -45.33 83.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.434 2.756 . . . . 0.0 112.758 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' PHE . 19.6 mmtp -58.84 -25.56 63.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.531 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -132.1 68.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.6 143.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.704 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.92 108.77 5.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.146 0.498 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.86 112.59 6.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.174 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -47.83 -53.3 15.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.075 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -52.09 63.77 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.87 -50.65 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.695 0.283 . . . . 0.0 111.409 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 43' ' ' ILE . 47.2 mt -66.49 -39.92 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -50.63 -49.47 56.77 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.746 0.307 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -63.71 -42.69 97.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.444 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.82 -48.19 82.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.47 -43.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.86 -44.46 93.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.292 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.82 -36.47 83.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.38 110.92 3.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.64 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.65 -47.69 77.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -93.8 -7.28 43.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.12 -30.71 38.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -83.01 9.88 9.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.74 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -145.87 33.48 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 84.5 mmm -61.95 -35.57 78.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.167 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.05 68.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -72.31 -39.29 68.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.7 -50.49 73.27 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -53.87 -47.51 70.96 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -66.09 -43.65 86.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.14 87.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.138 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -54.56 -45.57 73.52 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -52.54 -42.28 64.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.119 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -71.43 -43.44 66.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.415 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -52.94 -57.98 8.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.386 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' HIS . 85.4 tt0 -54.4 -43.35 71.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.8 t -57.5 -29.73 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.92 -31.01 28.0 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.7 -16.99 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 0.0 109.767 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' GLU . 37.5 t60 -78.12 -5.95 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.481 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.823 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.6 pttm -150.58 97.01 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 2' ' ' LYS . 21.6 t 9.08 104.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.504 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -47.72 -33.15 6.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -63.02 -45.35 92.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.7 m-70 -68.39 -40.87 81.2 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.672 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -56.2 -48.77 75.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.3 mt -59.01 -24.94 63.24 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.992 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -72.87 -17.8 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' C ' ' H ' ' A' ' 13' ' ' HIS . 33.5 m-85 -112.59 44.46 1.46 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 13' ' ' HIS . 41.1 mtp180 -58.26 -6.95 0.72 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.326 0.584 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.513 ' H ' ' C ' ' A' ' 11' ' ' TYR . 20.4 m80 27.81 78.91 0.25 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.559 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.51 -2.1 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.211 1.941 . . . . 0.0 111.437 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -145.93 74.77 13.24 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.247 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -43.89 139.77 5.37 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 123.191 2.594 . . . . 0.0 112.915 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -150.75 -60.04 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.14 163.23 20.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -53.63 -43.93 69.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.3 tt -66.49 -33.19 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.5 m -64.39 -51.09 64.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.48 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 6.0 pt-20 -60.2 -38.55 83.63 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.211 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -63.18 -42.82 99.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.387 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.15 67.15 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.522 ' OD1' ' HA ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -59.12 -40.9 86.83 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.267 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.0 -50.06 72.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.73 68.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -57.85 -30.34 65.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.26 -7.45 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -81.44 71.01 8.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.011 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.81 -13.04 40.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -96.73 -2.91 43.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.5 t80 -49.12 138.12 13.94 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.389 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 52.5 Cg_endo -69.4 68.15 1.5 Allowed 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.603 2.202 . . . . 0.0 112.057 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -57.88 -35.01 70.38 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -96.46 41.19 1.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 t 179.42 107.42 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 107.73 12.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.205 0.526 . . . . 0.0 110.068 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.42 127.59 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -48.09 -53.61 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.003 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -63.29 -51.29 66.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.72 -51.97 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.604 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.13 -35.33 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.846 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -54.1 -50.42 66.89 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -63.98 -32.53 74.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.72 -35.87 73.37 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.221 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -50.14 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.89 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.13 -19.42 65.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.72 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.87 -11.76 49.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.667 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -147.73 125.12 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.13 1.94 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.513 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 4.5 m-20 -56.67 -41.02 76.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.268 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.48 -18.37 20.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.806 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.49 -36.86 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -78.53 5.32 11.12 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -144.53 31.46 1.2 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -38.66 87.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.025 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.74 67.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -72.7 -45.45 58.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.47 -50.44 73.74 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -42.99 71.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.135 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.19 -41.75 89.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -46.72 89.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.897 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -55.13 -48.47 73.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -52.51 -39.0 60.8 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.169 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -72.86 -43.5 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.931 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.486 ' HH ' ' H ' ' A' ' 2' ' ' LYS . 73.3 t80 -56.11 -59.16 5.32 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.761 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.642 ' O ' ' N ' ' A' ' 72' ' ' HIS . 2.0 pp20? -57.87 -37.86 74.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 121.03 0.443 . . . . 0.0 110.468 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -58.08 -33.61 69.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.13 -31.35 25.26 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.425 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.439 ' CG2' ' HZ3' ' A' ' 2' ' ' LYS . 4.8 t -97.68 -55.03 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.269 0.556 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.642 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.9 t60 -70.67 -5.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.4 -49.43 1.43 Allowed Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 18.2 ttp85 46.95 -153.12 0.07 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.617 0.246 . . . . 0.0 111.097 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.447 ' H ' ' HG2' ' A' ' 74' ' ' ARG . 4.6 mm? -88.47 29.04 1.02 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -93.6 41.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.501 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -56.41 136.13 53.88 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -140.71 -61.18 0.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' HD1' ' H ' ' A' ' 79' ' ' HIS . 6.5 p-80 -55.47 -41.52 73.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -98.02 101.42 12.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -81.78 48.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.454 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -94.64 -11.25 29.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 15.5 m 100.65 131.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.064 0.852 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' H ' ' HB ' ' A' ' 38' ' ' THR . 61.4 t80 -55.37 -38.12 68.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -67.81 -34.26 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.498 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 11.9 m170 -67.28 -44.58 78.94 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -57.7 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.98 -27.16 65.13 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.473 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.9 mt -58.52 -22.76 56.29 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.085 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -65.67 -17.08 64.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 109.961 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 13' ' ' HIS . 24.5 m-85 -99.02 52.92 0.97 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.618 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 59.8 mtm180 -53.03 61.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.586 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.631 ' N ' ' O ' ' A' ' 11' ' ' TYR . 48.3 p-80 28.32 50.21 0.3 Allowed Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.37 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.618 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 82.1 Cg_endo -79.7 -92.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.144 1.896 . . . . 0.0 112.2 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.42 93.89 17.38 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.107 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.01 125.95 13.19 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.711 2.274 . . . . 0.0 112.621 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -151.9 -49.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.824 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.2 154.86 25.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -53.54 -44.94 69.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.152 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 21' ' ' SER . 4.4 tt -65.08 -42.21 93.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.774 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 44.9 m -64.91 -48.94 72.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.076 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.62 -37.47 75.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -61.04 -41.42 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.647 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 4.9 m120 -56.19 -48.37 76.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.09 -51.22 68.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.027 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.37 68.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.9 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.94 26.87 0.69 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.71 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -160.46 87.31 0.76 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.013 0.435 . . . . 0.0 110.663 179.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' NE2' ' HZ2' ' A' ' 35' ' ' LYS . 23.7 t-80 -68.57 29.25 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.455 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.552 ' H ' ' C ' ' A' ' 30' ' ' ASP . 80.0 p -107.04 -12.87 15.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.576 0.226 . . . . 0.0 110.803 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 1.6 t80 -47.55 141.14 7.29 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.505 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 47.7 Cg_endo -69.55 53.94 1.05 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.74 2.293 . . . . 0.0 112.566 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HZ2' ' NE2' ' A' ' 31' ' ' HIS . 16.2 pttt -57.75 -24.3 56.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -94.15 27.59 2.8 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t 177.5 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.709 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 ' HB ' ' H ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.19 107.81 18.77 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.303 0.573 . . . . 0.0 110.675 -179.578 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.71 133.56 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.612 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -47.09 -48.09 22.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -64.05 -47.72 79.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.267 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.82 -51.38 69.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.25 -41.72 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.182 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -51.52 -48.6 62.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.27 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.5 t -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.78 -36.13 73.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.6 mt -73.72 -45.73 50.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -64.25 -30.02 71.09 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.265 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 -12.59 55.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -148.97 105.56 3.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.46 42.02 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.153 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.29 -27.62 68.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -94.9 -19.42 20.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.647 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 56' ' ' THR . 6.8 tp -51.35 -23.82 4.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.608 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 10.7 t-160 -72.58 23.64 0.06 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.152 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 54' ' ' LEU . 1.9 t -146.59 11.37 1.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.374 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -48.64 48.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.95 73.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.339 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 m -73.84 -42.45 60.83 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -57.18 -50.52 72.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.05 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.25 -48.38 71.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.037 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.96 -40.43 91.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.632 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.82 88.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.267 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -54.32 -48.05 71.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.243 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.62 -41.08 63.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.072 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -70.45 -46.07 64.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.691 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -52.81 -54.7 30.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.04 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 39.6 mm-40 -54.45 -48.95 71.13 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.61 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -52.66 -27.76 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.81 -54.42 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.88 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.1 -16.51 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 58.0 t-80 -76.72 -15.94 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.232 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.59 -1.63 12.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -80.91 157.78 25.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.752 0.311 . . . . 0.0 110.491 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -97.82 66.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.901 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.75 13.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.181 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 78' ' ' HIS . 86.6 t60 63.96 161.49 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.977 0.417 . . . . 0.0 110.978 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 1.2 p80 -159.42 146.84 17.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.769 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 157.54 37.98 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 61.3 -170.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.032 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -170.14 -62.1 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.483 -179.726 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 158.29 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.733 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -59.99 138.56 57.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.684 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -56.08 -42.53 76.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.89 -39.9 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 3.8 m-70 -67.5 -49.18 64.65 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.12 -47.89 74.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.49 -31.35 67.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.122 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.5 mt -61.21 -24.08 66.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -69.39 -17.61 63.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -98.11 49.08 1.0 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -37.07 152.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.016 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.559 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.1 -51.31 14.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.046 -179.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 13' ' ' HIS . 97.9 Cg_exo -38.37 112.95 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.713 2.275 . . . . 0.0 113.227 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt 62.28 67.87 1.15 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.589 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -71.26 173.22 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.434 2.09 . . . . 0.0 110.889 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -77.26 0.16 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.48 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.03 163.58 24.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.94 0.4 . . . . 0.0 111.509 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -53.61 -41.02 66.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 21' ' ' SER . 10.0 tt -61.56 -38.43 80.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.003 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.433 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 7.4 m -64.09 -46.56 83.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.524 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.42 -39.49 79.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.382 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.03 -39.99 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -45.07 81.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.27 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.501 HD21 ' CD2' ' A' ' 13' ' ' HIS . 3.7 m120 -56.6 -40.8 75.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.44 -51.38 63.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -59.93 -29.45 68.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -85.07 0.29 52.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -79.14 -177.98 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.406 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -175.09 26.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -135.9 -18.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.2 t80 -48.78 136.32 13.45 Favored Pre-proline 0 C--N 1.334 -0.08 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.628 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 37.9 Cg_endo -67.71 64.39 0.87 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.716 2.277 . . . . 0.0 112.031 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.65 -24.4 33.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -95.75 33.99 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.962 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t 179.96 152.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.922 0.391 . . . . 0.0 110.387 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 107.76 5.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.255 0.55 . . . . 0.0 109.891 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' H ' HD12 ' A' ' 43' ' ' ILE . 12.5 t70 -143.63 122.16 12.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.085 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -52.66 -54.15 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.951 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -61.59 -50.6 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.02 -51.26 70.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.665 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.438 HD12 ' H ' ' A' ' 39' ' ' ASP . 4.4 mt -68.07 -41.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -53.99 -42.24 68.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.091 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -64.04 -43.9 94.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.28 -46.15 89.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.51 -41.45 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.24 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -45.72 87.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.618 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.51 -36.65 84.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -67.75 122.55 18.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.084 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.83 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -92.04 -8.87 44.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.217 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.85 -29.15 39.86 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.688 0.28 . . . . 0.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 36.49 1.7 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.818 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 p -145.92 21.26 1.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.75 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmt -57.25 -34.06 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.06 85.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.125 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -72.59 -39.24 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.904 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.1 -50.14 69.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.5 -46.94 73.54 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.28 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.73 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.95 83.85 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.46 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -55.93 -45.32 78.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.063 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.32 -41.32 62.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.74 -45.06 62.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -52.15 -56.87 11.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.868 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' HIS . 8.9 tp10 -55.25 -40.52 71.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.228 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -58.14 -30.32 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.228 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.39 -30.93 26.99 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.007 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.5 t -90.97 -14.69 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.243 0.544 . . . . 0.0 109.899 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' GLU . 75.0 t60 -74.42 -11.77 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.91 -8.96 83.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -81.96 139.04 34.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -90.02 30.71 1.04 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.16 0.505 . . . . 0.0 110.101 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.31 55.82 0.82 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.072 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -70.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.801 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -97.64 169.79 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -66.1 -18.12 65.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.01 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -56.55 130.9 47.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.42 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -151.98 -18.85 0.18 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.628 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.3 t60 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.758 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.3 ptmt -89.1 106.95 18.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.522 ' C ' ' O ' ' A' ' 2' ' ' LYS . 30.6 m 7.83 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.954 0.783 . . . . 0.0 112.584 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -48.96 -32.17 8.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.77 -44.85 84.59 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.322 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.9 m-70 -67.47 -36.45 81.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.483 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.4 -48.5 76.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tp -60.35 -28.88 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.893 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 10.6 mt -58.53 -23.27 57.8 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.823 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -66.32 -21.01 66.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.16 44.95 1.04 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -34.96 147.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.573 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.553 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -67.15 -41.43 34.49 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.648 -179.115 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 79.8 Cg_exo -44.73 100.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.355 2.037 . . . . 0.0 112.576 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tttm 71.17 76.28 0.23 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.601 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.43 123.28 6.98 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.499 2.133 . . . . 0.0 111.22 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -91.61 -80.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -80.48 169.45 17.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.169 0.509 . . . . 0.0 111.817 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -53.92 -40.13 66.45 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.968 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 21' ' ' SER . 15.5 tt -59.85 -41.32 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 11.2 p -64.47 -41.06 96.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.023 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.33 -41.43 84.58 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.974 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -39.03 86.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.21 -46.74 72.55 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.381 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -56.56 -48.91 76.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.244 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -63.52 -44.33 94.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.07 -41.82 93.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.395 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -87.22 37.86 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.57 157.48 27.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.777 0.322 . . . . 0.0 110.404 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -62.46 -77.34 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m -146.24 49.13 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.409 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 22.6 t80 -46.18 137.66 6.4 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.171 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 35.2 Cg_endo -66.02 72.37 0.36 Allowed 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.701 2.268 . . . . 0.0 112.39 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -57.62 -27.7 63.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.567 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 p -99.86 41.79 1.14 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.929 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.21 135.29 0.09 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 108.87 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.211 0.529 . . . . 0.0 110.086 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -143.38 126.49 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -52.87 -49.74 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.314 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.82 -52.16 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.71 -39.5 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.695 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -53.24 -48.58 68.08 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.425 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -63.03 -38.52 91.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.41 -47.66 84.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.88 -40.6 72.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.494 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.81 -41.43 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.216 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.47 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.124 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.49 123.16 19.27 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.74 -0.466 . . . . 0.0 109.74 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.49 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.086 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -93.96 -9.36 37.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.18 -44.56 61.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -90.19 32.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.27 20.56 1.38 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.0 mmm -68.36 -35.09 77.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.85 68.97 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.761 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.1 -49.81 70.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.7 -44.42 63.15 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.8 -40.45 96.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.514 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.65 89.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.965 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -55.11 -47.97 74.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.562 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.27 -40.67 62.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.39 -42.55 65.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.029 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.68 -57.7 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 10.6 pt-20 -56.59 -48.59 77.07 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.196 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 p -52.49 -27.9 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.675 0.274 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.13 -56.01 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 112.071 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.05 -17.25 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 37.6 t60 -78.73 -16.26 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.608 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.39 -12.51 84.21 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -81.73 170.51 15.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.732 0.301 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.4 mm? -81.93 48.75 1.26 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.059 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.49 44.67 1.01 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.49 102.6 0.04 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.214 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m170 58.44 -174.06 0.09 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.575 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -176.63 1.49 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.822 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -158.14 77.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.2 t60 65.33 112.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -59.2 158.27 9.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.487 ' HG ' ' H ' ' A' ' 6' ' ' HIS . 0.9 OUTLIER -59.18 140.86 55.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -67.82 -34.43 76.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.487 ' H ' ' HG ' ' A' ' 3' ' ' SER . 2.2 m-70 -67.96 -52.11 39.77 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.814 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.66 -51.8 67.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.06 -25.32 61.09 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.218 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -23.09 59.2 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.024 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -68.06 -16.93 64.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.353 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -95.4 46.55 1.11 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . 18.4 mtm180 -34.49 149.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.834 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -71.14 -36.72 5.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.1 -179.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 10.7 Cg_exo -66.38 21.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.011 1.807 . . . . 0.0 113.154 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 13' ' ' HIS . 24.1 tttt -170.17 70.42 0.6 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.041 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -87.57 102.11 0.5 Allowed 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.622 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -89.02 -76.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.56 172.03 11.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.142 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -52.05 -42.67 63.3 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 tt -60.62 -35.27 62.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.94 -43.58 95.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.89 -38.92 87.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.84 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.47 -47.77 84.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.06 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.445 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 13' ' ' HIS . 1.3 t-20 -53.75 -48.76 69.39 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.387 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.6 -50.43 72.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.412 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.52 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.31 -30.72 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.12 0.28 49.12 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.025 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.43 178.01 8.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.783 0.325 . . . . 0.0 110.686 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -173.15 24.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -139.04 -1.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.44 138.69 28.9 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.49 61.86 4.39 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.605 2.203 . . . . 0.0 111.721 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.36 -25.1 48.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.742 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 t -97.07 33.0 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.2 t 179.2 98.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.0 107.88 18.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.909 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -144.6 127.07 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.445 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -46.58 -47.82 19.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.414 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -62.97 -50.48 70.61 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.972 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.96 -47.94 84.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mm -65.87 -50.07 72.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.776 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -51.52 -45.07 62.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.8 p -63.84 -33.91 76.74 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -59.35 -37.06 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.092 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.99 -48.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.152 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -22.47 66.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.65 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.68 -12.07 50.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -148.86 120.23 7.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.293 0.568 . . . . 0.0 110.922 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.32 8.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.091 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.77 -31.21 66.3 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.949 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -95.63 -22.64 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.43 -26.24 29.62 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -83.98 7.26 18.98 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 27.24 1.1 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.43 -38.58 81.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.235 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.69 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.954 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.6 m -73.61 -42.34 61.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.87 -50.72 65.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.35 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.81 -44.93 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.199 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.45 -40.23 92.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.125 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.79 88.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.064 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -54.83 -48.2 73.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -52.37 -40.45 62.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.341 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -70.95 -44.11 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -52.06 -55.93 17.57 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' HIS . 13.6 mm-40 -54.82 -50.59 68.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.9 t -51.59 -29.25 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -83.44 -56.01 3.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.73 13.16 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.995 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' GLU . 31.4 t60 -77.43 -19.09 56.58 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.293 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.28 -14.68 79.96 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 37.76 -152.94 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 112.228 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -107.49 52.46 0.71 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.09 48.17 1.61 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.703 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -70.26 169.97 12.66 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.58 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -104.75 -68.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -49.4 133.44 19.96 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.136 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -78.97 171.3 15.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -71.2 134.45 46.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.702 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mmt . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -90.04 99.63 12.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.599 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.533 ' C ' ' O ' ' A' ' 2' ' ' LYS . 53.3 m 3.16 108.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.92 0.762 . . . . 0.0 112.365 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -47.07 -33.88 5.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -58.98 -45.5 90.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.6 m-70 -68.32 -39.03 82.12 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.19 -48.39 73.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.42 -32.78 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.347 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.0 mt -60.82 -23.0 64.75 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.55 -31.07 71.56 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ARG . 75.1 m-85 -89.95 10.6 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.242 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' TYR . 5.6 tpp180 25.19 -138.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.142 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.538 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 21.8 p-80 -161.79 56.67 0.7 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 95.5 Cg_endo -88.69 -94.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 123.212 2.608 . . . . 0.0 111.841 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 14' ' ' PRO . 20.7 mtpp -114.09 85.23 9.89 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.888 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.73 157.99 47.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.813 2.342 . . . . 0.0 113.11 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -151.66 -42.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.625 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -82.91 155.24 24.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.028 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.083 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 21' ' ' SER . 11.3 tt -62.96 -38.99 83.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.013 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 2.9 m -63.15 -49.04 75.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.79 -37.81 77.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.64 -48.71 71.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.445 HD21 ' HB2' ' A' ' 13' ' ' HIS . 4.8 m120 -57.83 -48.31 80.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -62.99 -49.87 73.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -29.54 63.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -59.51 -32.53 70.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.15 -7.95 57.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -80.93 81.27 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 110.627 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -67.03 -1.33 4.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.079 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -98.87 -15.18 19.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.812 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.5 t80 -47.08 112.23 1.9 Allowed Pre-proline 0 CA--C 1.53 0.194 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.58 78.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.861 2.374 . . . . 0.0 112.682 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' PHE . 25.6 mtmm -60.81 -32.99 72.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 t -99.57 43.1 1.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.95 134.79 0.07 Allowed 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.5 107.3 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.307 0.575 . . . . 0.0 109.597 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -145.0 128.09 16.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.557 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.01 -54.18 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.586 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.31 -50.85 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.98 -51.78 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.471 HD12 HG23 ' A' ' 43' ' ' ILE . 61.1 mt -67.57 -42.58 86.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.189 -179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -52.08 -41.47 62.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -63.41 -43.81 96.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.09 -38.82 84.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.243 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.14 -44.0 55.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.317 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -41.67 97.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.585 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.73 -36.88 84.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.6 113.12 5.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.924 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -25.82 62.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.7 -47.67 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.757 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -92.21 -6.1 51.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.562 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.5 tp -49.62 -39.69 36.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -96.48 44.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.938 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 m -143.69 1.86 1.19 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -38.24 55.22 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.21 88.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.9 m -72.9 -45.76 56.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.695 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.04 -50.4 72.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.65 -48.99 68.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.413 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.79 -42.7 97.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.99 83.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.195 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -56.95 -46.84 81.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -52.32 -42.88 64.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.295 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.51 -43.39 66.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.344 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -54.04 -58.13 8.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 72' ' ' HIS . 18.9 tt0 -55.5 -43.04 75.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -56.68 -29.76 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.325 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.86 -30.69 28.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.955 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.94 -16.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.0 110.152 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' GLU . 59.2 t60 -78.0 -7.42 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.608 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.28 -44.18 51.93 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -82.14 149.48 27.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.749 0.309 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.07 24.27 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 70.94 -49.05 0.67 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.937 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -88.8 160.3 17.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.514 ' HE2' ' CE1' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -91.58 24.14 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.642 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 69.04 117.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.514 ' CE1' ' HE2' ' A' ' 78' ' ' HIS . 52.1 m-70 -103.55 -93.32 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -159.92 -43.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.535 179.678 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' H3 ' ' H ' ' A' ' 2' ' ' LYS . 5.3 ptm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' H ' ' H3 ' ' A' ' 1' ' ' MET . 8.6 tttp 68.06 104.81 0.05 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.125 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 136.11 57.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -55.34 -42.77 74.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.496 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.19 -41.34 99.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 21.9 m80 -66.32 -49.05 68.32 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.714 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.67 -52.37 65.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.31 -26.07 62.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.389 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.1 mt -60.05 -24.75 64.8 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.831 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -71.53 -18.16 62.28 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -95.79 46.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -41.86 160.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.835 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.716 ' ND1' ' H ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -69.48 -57.47 6.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.515 -178.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 82.8 Cg_exo -33.47 118.52 0.1 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 123.128 2.552 . . . . 0.0 113.491 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 68.26 57.01 0.7 Allowed Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.229 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 156.37 54.82 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.229 1.953 . . . . 0.0 110.881 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -149.15 -63.45 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.862 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.77 159.9 26.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 111.061 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -52.86 -44.25 66.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.479 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.6 tt -61.41 -35.44 66.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.804 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -64.34 -48.34 75.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.123 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.44 -38.4 77.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.29 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.35 -43.0 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.25 -44.99 76.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.15 -48.52 76.13 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.87 -49.87 68.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.06 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.49 -33.56 68.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.716 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 89.1 t80 -60.48 -27.47 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.099 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.78 -6.52 59.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.12 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.69 81.64 7.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.006 0.432 . . . . 0.0 110.167 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' HD1' ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -63.46 -10.1 15.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.984 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.454 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 93.1 p -97.0 -5.14 38.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -50.61 132.74 27.1 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.552 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.21 55.78 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.542 2.161 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.8 -24.91 38.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -98.53 32.35 2.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 104.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.15 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.7 t -105.18 108.35 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.991 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -144.19 125.54 14.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.315 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 44' ' ' SER . 81.5 t80 -50.82 -51.54 50.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.759 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.38 -51.21 69.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 0.0 111.572 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.74 -40.27 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 27.7 t -51.84 -50.95 59.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.679 0.276 . . . . 0.0 110.753 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -63.35 -39.91 95.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.742 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.84 -45.49 92.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.25 -36.02 66.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.353 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.85 -48.84 75.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.156 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.72 -36.58 83.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.24 113.52 5.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.137 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.82 71.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.95 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.36 -33.95 77.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -94.43 -20.52 19.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.1 tp -55.36 -38.17 68.47 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -68.61 1.65 3.02 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.636 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -144.44 33.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.968 0.413 . . . . 0.0 110.785 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -34.45 76.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.317 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.56 73.76 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.799 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 m -71.96 -38.63 69.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -63.39 -49.65 72.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.854 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -51.7 -45.86 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.936 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.35 -39.56 89.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.205 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.23 85.64 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.083 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -55.69 -47.1 77.35 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.049 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -52.42 -39.19 60.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.875 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.82 -47.05 64.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.766 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -51.59 -54.89 22.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.076 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 72' ' ' HIS . 47.5 mt-10 -55.4 -50.32 70.04 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -50.61 -27.44 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.196 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.36 -54.47 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.773 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.45 -16.68 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.5 t60 -76.82 -1.87 30.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.691 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.48 -18.07 61.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -82.42 -130.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.421 . . . . 0.0 110.903 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 77' ' ' HIS . 4.3 mm? 62.32 33.01 16.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.746 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.92 27.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.208 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.522 ' H ' ' C ' ' A' ' 75' ' ' LEU . 12.1 p80 -143.47 158.03 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.541 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -161.14 115.48 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -80.44 155.35 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.661 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 62.24 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.5 -178.94 5.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.657 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.61 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -51.36 154.63 1.69 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.649 -179.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -58.42 135.66 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.58 -38.6 69.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.18 -39.11 91.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -67.14 -52.23 44.16 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.2 -50.56 69.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.42 -28.88 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.948 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -23.47 61.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -68.96 -19.99 64.18 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.15 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' ARG . 31.6 m-85 -90.68 14.61 12.93 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.978 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' TYR . 49.3 mtm180 20.22 -136.83 0.0 OUTLIER 'General case' 0 C--N 1.341 0.209 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.567 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -162.21 41.82 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.606 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 73.8 Cg_endo -87.53 99.19 0.46 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.475 2.117 . . . . 0.0 111.952 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 46.02 85.3 0.17 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 120.71 0.29 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 161.39 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.705 2.27 . . . . 0.0 112.751 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -146.69 -43.9 0.19 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.99 152.96 26.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.238 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -53.67 -45.46 70.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.203 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 tt -64.98 -36.03 76.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 2.6 m -62.37 -46.49 88.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.54 -38.25 77.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.084 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.28 -41.11 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.672 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -48.47 75.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.153 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.54 HD21 ' HB2' ' A' ' 13' ' ' HIS . 4.6 m120 -56.47 -47.06 79.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -62.21 -50.75 70.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.59 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -29.32 64.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.55 -35.84 77.0 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.38 26.83 1.01 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 18.0 p-10 -78.2 -177.39 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.563 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 1.6 m80 -174.9 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.8 t -99.96 -14.4 18.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.277 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 58.6 t80 -49.47 139.02 15.29 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.413 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 44.1 Cg_endo -70.32 55.64 1.53 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -56.04 -25.13 43.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.618 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -95.6 40.59 1.11 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.25 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.33 118.38 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 t -107.68 107.19 17.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.214 0.53 . . . . 0.0 110.007 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -146.13 120.93 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.582 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -56.71 -46.3 81.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.53 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -62.03 -52.62 63.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -62.89 -50.96 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.32 . . . . 0.0 111.441 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.693 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -52.62 -48.66 66.2 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -63.41 -36.0 82.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.423 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -59.01 -40.29 84.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.7 -45.64 61.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.808 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.32 -26.0 68.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.87 -10.95 42.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.701 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.561 HD21 ' H ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -147.42 112.35 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.245 0.545 . . . . 0.0 110.655 -179.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.14 -23.89 2.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.834 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.561 ' H ' HD21 ' A' ' 50' ' ' ASN . 8.4 m-20 -57.63 -30.38 65.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.496 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.35 -23.0 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.539 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 56' ' ' THR . 52.1 tp -54.03 -39.92 66.6 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.92 10.19 1.26 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.027 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.406 ' H ' ' C ' ' A' ' 54' ' ' LEU . 20.1 p -140.26 3.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.332 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 57' ' ' MET . 10.7 tpp -52.51 -30.54 30.86 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.12 98.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.141 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -73.34 -39.86 64.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -57.8 -50.49 73.09 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -54.95 -48.17 73.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.997 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.49 -39.14 93.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.6 89.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.14 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -54.62 -49.13 71.23 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.332 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -52.49 -41.55 63.48 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.099 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.22 -45.01 64.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.934 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -52.82 -57.38 10.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.028 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 72' ' ' HIS . 22.9 mm-40 -54.19 -44.59 71.7 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -55.14 -30.49 59.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.585 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -31.15 26.36 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.066 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 ' C ' ' H ' ' A' ' 73' ' ' GLY . 3.0 t -92.48 -54.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 68' ' ' GLU . 10.0 t-80 -70.32 5.1 1.87 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.467 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 71' ' ' VAL . . . -61.62 -0.73 2.12 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 72' ' ' HIS . 10.6 ptt-85 -79.3 163.97 24.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.884 0.373 . . . . 0.0 110.544 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.26 29.16 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -150.99 58.07 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.148 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -56.48 137.18 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.848 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -144.34 158.2 43.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -90.23 -81.06 0.31 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 88.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.607 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -138.22 4.55 2.46 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.774 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 3' ' ' SER . 1.1 ptmm? -152.99 -10.27 0.16 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 9.4 t 101.13 127.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.817 0.698 . . . . 0.0 110.447 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.52 -44.9 81.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.51 -46.21 89.49 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 25.8 m-70 -66.64 -42.12 87.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -57.49 -47.59 81.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.08 -29.12 68.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.412 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 3.8 mt -59.32 -24.21 63.13 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.461 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -69.72 -22.22 63.41 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -95.42 46.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.673 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.5 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.519 -1.218 . . . . 0.0 112.399 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' A' ' 25' ' ' ASN . 2.1 t60 -66.53 -46.28 58.34 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 54.8 Cg_exo -47.34 129.43 16.06 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.531 2.154 . . . . 0.0 113.146 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 53.32 61.48 10.86 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.989 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 18' ' ' ASP . 89.1 Cg_endo -80.73 -99.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.691 2.261 . . . . 0.0 111.729 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt 75.18 -22.25 0.27 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.429 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 16' ' ' PRO . 4.4 m-20 -82.82 142.11 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -53.85 -45.57 70.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 21' ' ' SER . 13.1 tt -65.63 -44.08 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.097 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 35.9 p -65.58 -37.8 87.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.381 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.31 -39.35 75.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -61.4 -44.71 96.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.48 90.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.898 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.632 HD21 ' ND1' ' A' ' 13' ' ' HIS . 17.4 m120 -54.95 -47.49 74.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.329 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.4 -51.09 68.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.66 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.625 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.71 -26.45 68.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.49 1.25 49.64 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.5 -165.89 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -176.65 -29.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.239 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -93.9 -3.21 52.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.364 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 43.1 t80 -49.43 138.95 15.13 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.282 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 41.0 Cg_endo -68.32 57.39 0.93 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.724 2.282 . . . . 0.0 112.408 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -24.44 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -96.32 33.53 1.76 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t 177.5 123.14 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.182 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.0 t -126.49 109.01 11.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.237 0.542 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.2 t0 -144.43 128.44 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.121 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -45.88 -47.06 16.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.204 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -63.03 -48.51 78.41 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.371 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.93 -50.85 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.29 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 39' ' ' ASP . 37.6 mm -63.85 -49.16 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -50.42 -41.04 51.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.55 -39.73 94.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.347 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.86 -35.77 75.49 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.345 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 mt -74.83 -49.49 20.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.15 -23.49 67.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.78 -13.03 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.744 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -149.54 114.99 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -23.03 13.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.31 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -27.02 61.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -94.63 -22.88 17.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.609 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.92 -33.42 64.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.63 6.08 2.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -146.83 13.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.076 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.2 tpp -52.52 -39.7 61.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.22 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.32 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -72.42 -35.57 68.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.168 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -62.55 -49.81 73.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.917 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -53.98 -44.87 71.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.177 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.61 -45.23 91.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.25 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.62 89.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -55.02 -46.65 75.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.85 -38.49 61.54 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.89 -43.33 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.083 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -52.6 -57.83 8.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.516 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 11.4 pt-20 -56.11 -47.0 78.91 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 19.0 t -51.74 -28.0 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.297 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -82.86 -54.56 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.863 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.77 -14.25 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 34.7 t60 -75.72 3.07 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.0 -21.01 68.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -83.23 -133.67 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.045 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 77' ' ' HIS . 4.5 mm? 60.27 38.42 19.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.88 23.82 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.581 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.52 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.7 p-80 -140.36 10.26 2.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.876 0.369 . . . . 0.0 110.553 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.473 ' N ' ' HD1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -69.59 152.65 44.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.83 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -155.88 150.07 25.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.466 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 61.3 163.5 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -80.04 66.34 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.194 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.4 t60 . . . . . 0 C--O 1.222 -0.346 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.487 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 169.39 7.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -58.66 123.01 14.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.71 -43.36 72.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.95 -43.47 86.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.539 ' HD1' ' N ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -67.13 -49.58 64.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -54.95 -53.35 56.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.94 -28.5 62.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.814 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.39 -32.28 72.21 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.934 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -75.85 -16.85 60.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.52 35.79 1.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.547 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 15.0 mtm180 -54.72 168.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 21' ' ' SER . 3.0 t60 -164.6 58.3 0.61 Allowed Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.441 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -41.06 137.68 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.591 2.194 . . . . 0.0 110.359 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 27.8 mmtm 65.12 54.45 1.16 Allowed Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 45.0 Cg_exo -35.96 150.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 124.252 3.301 . . . . 0.0 114.377 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 18' ' ' ASP . 16.7 ptmt -152.28 -47.5 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.226 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 35.1 t70 -84.39 156.96 21.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.574 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 m -57.51 -45.84 84.48 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.765 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.77 -34.84 73.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.892 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.436 ' OG ' ' HA ' ' A' ' 16' ' ' PRO . 1.2 t -61.51 -46.04 91.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.243 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.47 -43.34 97.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.859 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.16 -51.4 68.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.275 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.1 67.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.659 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -60.55 -35.34 75.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.52 -48.38 79.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.643 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.82 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -60.56 -47.87 84.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.22 6.02 44.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.625 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 58.4 m-20 -77.88 169.4 18.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 12.1 m-70 -171.54 31.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.292 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -145.88 67.92 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.812 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 10.6 t80 -179.72 142.97 0.37 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.919 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 1.4 Cg_endo -45.33 83.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.434 2.756 . . . . 0.0 112.758 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' PHE . 19.6 mmtp -58.84 -25.56 63.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.531 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -132.1 68.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.6 143.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.704 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.92 108.77 5.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.146 0.498 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.86 112.59 6.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.174 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -47.83 -53.3 15.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.075 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -52.09 63.77 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.87 -50.65 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.695 0.283 . . . . 0.0 111.409 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 43' ' ' ILE . 47.2 mt -66.49 -39.92 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -50.63 -49.47 56.77 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.746 0.307 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -63.71 -42.69 97.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.444 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.82 -48.19 82.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.47 -43.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.86 -44.46 93.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.292 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.82 -36.47 83.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.38 110.92 3.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.64 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.65 -47.69 77.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -93.8 -7.28 43.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.12 -30.71 38.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -83.01 9.88 9.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.74 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -145.87 33.48 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 84.5 mmm -61.95 -35.57 78.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.167 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.05 68.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -72.31 -39.29 68.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.7 -50.49 73.27 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -53.87 -47.51 70.96 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -66.09 -43.65 86.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.14 87.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.138 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -54.56 -45.57 73.52 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -52.54 -42.28 64.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.119 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -71.43 -43.44 66.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.415 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -52.94 -57.98 8.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.386 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' HIS . 85.4 tt0 -54.4 -43.35 71.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.8 t -57.5 -29.73 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.92 -31.01 28.0 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.7 -16.99 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 0.0 109.767 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' GLU . 37.5 t60 -78.12 -5.95 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.481 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.87 -48.34 2.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -81.13 145.18 31.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.919 0.39 . . . . 0.0 110.68 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -108.45 29.5 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -84.93 48.47 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -122.67 29.99 6.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.115 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.27 54.57 0.79 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.666 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 41.16 66.64 0.63 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.045 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -77.56 -156.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -50.03 127.64 17.06 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.361 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.6 pttm -150.58 97.01 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 2' ' ' LYS . 21.6 t 9.08 104.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.504 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -47.72 -33.15 6.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -63.02 -45.35 92.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.7 m-70 -68.39 -40.87 81.2 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.672 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -56.2 -48.77 75.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.3 mt -59.01 -24.94 63.24 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.992 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -72.87 -17.8 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' C ' ' H ' ' A' ' 13' ' ' HIS . 33.5 m-85 -112.59 44.46 1.46 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 13' ' ' HIS . 41.1 mtp180 -58.26 -6.95 0.72 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.326 0.584 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 11' ' ' TYR . 20.4 m80 27.81 78.91 0.25 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.559 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.51 -2.1 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.211 1.941 . . . . 0.0 111.437 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -145.93 74.77 13.24 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.247 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -43.89 139.77 5.37 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 123.191 2.594 . . . . 0.0 112.915 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' H ' ' HB2' ' A' ' 21' ' ' SER . 47.9 mtmt -150.75 -60.04 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.14 163.23 20.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -53.63 -43.93 69.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.3 tt -66.49 -33.19 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.449 ' HB2' ' H ' ' A' ' 17' ' ' LYS . 9.5 m -64.39 -51.09 64.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.48 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 6.0 pt-20 -60.2 -38.55 83.63 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.211 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HB2' HG21 ' A' ' 59' ' ' THR . 48.8 t80 -63.18 -42.82 99.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.387 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.15 67.15 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.526 ' OD1' ' HA ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -59.12 -40.9 86.83 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.267 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.0 -50.06 72.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.73 68.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -57.85 -30.34 65.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.26 -7.45 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -81.44 71.01 8.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.011 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.81 -13.04 40.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -96.73 -2.91 43.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.5 t80 -49.12 138.12 13.94 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.389 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 52.5 Cg_endo -69.4 68.15 1.5 Allowed 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.603 2.202 . . . . 0.0 112.057 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -57.88 -35.01 70.38 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -96.46 41.19 1.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 t 179.42 107.42 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.405 ' HA ' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -121.65 107.73 12.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.205 0.526 . . . . 0.0 110.068 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.42 127.59 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -48.09 -53.61 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.003 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -63.29 -51.29 66.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.72 -51.97 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.604 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 38' ' ' THR . 44.4 mt -68.13 -35.33 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.846 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -54.1 -50.42 66.89 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -63.98 -32.53 74.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' HA ' HD12 ' A' ' 49' ' ' LEU . 41.4 t80 -58.72 -35.87 73.37 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.221 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -50.14 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.89 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.13 -19.42 65.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.72 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 46' ' ' TYR . 1.5 mt -65.87 -11.76 49.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -147.73 125.12 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.13 1.94 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.513 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 4.5 m-20 -56.67 -41.02 76.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.268 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.48 -18.37 20.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.806 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.49 -36.86 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' CE1' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -78.53 5.32 11.12 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -144.53 31.46 1.2 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -38.66 87.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.025 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.74 67.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.401 HG21 ' HB2' ' A' ' 23' ' ' PHE . 94.5 m -72.7 -45.45 58.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.47 -50.44 73.74 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -42.99 71.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.135 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.19 -41.75 89.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -46.72 89.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.897 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -55.13 -48.47 73.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -52.51 -39.0 60.8 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.169 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -72.86 -43.5 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.931 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -56.11 -59.16 5.32 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.761 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.642 ' O ' ' N ' ' A' ' 72' ' ' HIS . 2.0 pp20? -57.87 -37.86 74.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 121.03 0.443 . . . . 0.0 110.468 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -58.08 -33.61 69.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.13 -31.35 25.26 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.425 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.68 -55.03 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.269 0.556 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.642 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.9 t60 -70.67 -5.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.329 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -94.64 -11.25 29.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 15.5 m 100.65 131.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.064 0.852 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.507 ' H ' ' HB ' ' A' ' 38' ' ' THR . 61.4 t80 -55.37 -38.12 68.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -67.81 -34.26 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 11.9 m170 -67.28 -44.58 78.94 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -57.7 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.98 -27.16 65.13 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.473 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.9 mt -58.52 -22.76 56.29 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.085 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -65.67 -17.08 64.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 109.961 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 13' ' ' HIS . 24.5 m-85 -99.02 52.92 0.97 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.618 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 59.8 mtm180 -53.03 61.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.586 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.631 ' N ' ' O ' ' A' ' 11' ' ' TYR . 48.3 p-80 28.32 50.21 0.3 Allowed Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.37 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.618 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 82.1 Cg_endo -79.7 -92.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.144 1.896 . . . . 0.0 112.2 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.42 93.89 17.38 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.107 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.01 125.95 13.19 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.711 2.274 . . . . 0.0 112.621 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -151.9 -49.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.824 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.2 154.86 25.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -53.54 -44.94 69.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.152 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 21' ' ' SER . 4.4 tt -65.08 -42.21 93.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.774 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 44.9 m -64.91 -48.94 72.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.076 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.62 -37.47 75.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 56' ' ' THR . 58.2 t80 -61.04 -41.42 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.647 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 4.9 m120 -56.19 -48.37 76.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.09 -51.22 68.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.027 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.37 68.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.9 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.94 26.87 0.69 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.71 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -160.46 87.31 0.76 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.013 0.435 . . . . 0.0 110.663 179.273 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.57 29.25 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.455 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 30' ' ' ASP . 80.0 p -107.04 -12.87 15.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.576 0.226 . . . . 0.0 110.803 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 1.6 t80 -47.55 141.14 7.29 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 47.7 Cg_endo -69.55 53.94 1.05 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.74 2.293 . . . . 0.0 112.566 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -57.75 -24.3 56.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -94.15 27.59 2.8 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t 177.5 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.709 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.507 ' HB ' ' H ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.19 107.81 18.77 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.303 0.573 . . . . 0.0 110.675 -179.578 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.71 133.56 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.612 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -47.09 -48.09 22.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -64.05 -47.72 79.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.267 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.82 -51.38 69.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.423 HG21 ' CE1' ' A' ' 60' ' ' PHE . 1.5 mp -66.25 -41.72 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -51.52 -48.6 62.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.27 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.5 t -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.78 -36.13 73.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.6 mt -73.72 -45.73 50.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -64.25 -30.02 71.09 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.265 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 -12.59 55.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -148.97 105.56 3.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.46 42.02 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.153 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.29 -27.62 68.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 56' ' ' THR . 39.8 m-85 -94.9 -19.42 20.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.647 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 56' ' ' THR . 6.8 tp -51.35 -23.82 4.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.608 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 55' ' ' HIS . 10.7 t-160 -72.58 23.64 0.06 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.152 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 53' ' ' TYR . 1.9 t -146.59 11.37 1.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.374 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -48.64 48.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.95 73.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.339 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 m -73.84 -42.45 60.83 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' ' 43' ' ' ILE . 6.3 t80 -57.18 -50.52 72.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.05 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.25 -48.38 71.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.037 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.96 -40.43 91.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.632 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.82 88.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.267 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -54.32 -48.05 71.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.243 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.62 -41.08 63.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.072 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -70.45 -46.07 64.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.691 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -52.81 -54.7 30.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.04 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 39.6 mm-40 -54.45 -48.95 71.13 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.61 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -52.66 -27.76 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.81 -54.42 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.88 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.1 -16.51 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 58.0 t-80 -76.72 -15.94 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.232 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.602 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.88 158.29 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.733 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 6' ' ' HIS . 23.1 t -59.99 138.56 57.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -56.08 -42.53 76.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.89 -39.9 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 3.8 m-70 -67.5 -49.18 64.65 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.12 -47.89 74.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 8' ' ' LEU . 7.4 tp -58.49 -31.35 67.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.5 mt -61.21 -24.08 66.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -69.39 -17.61 63.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -98.11 49.08 1.0 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -37.07 152.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.016 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.496 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.1 -51.31 14.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.046 -179.664 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 13' ' ' HIS . 97.9 Cg_exo -38.37 112.95 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.713 2.275 . . . . 0.0 113.227 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt 62.28 67.87 1.15 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.589 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -71.26 173.22 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.434 2.09 . . . . 0.0 110.889 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -77.26 0.16 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.48 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.03 163.58 24.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.94 0.4 . . . . 0.0 111.509 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -53.61 -41.02 66.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 21' ' ' SER . 10.0 tt -61.56 -38.43 80.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.003 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 7.4 m -64.09 -46.56 83.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.524 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.42 -39.49 79.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.382 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.03 -39.99 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -56.52 -45.07 81.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.27 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 13' ' ' HIS . 3.7 m120 -56.6 -40.8 75.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.44 -51.38 63.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -59.93 -29.45 68.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -85.07 0.29 52.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -79.14 -177.98 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.406 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -175.09 26.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -135.9 -18.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.2 t80 -48.78 136.32 13.45 Favored Pre-proline 0 C--N 1.334 -0.08 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.628 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 37.9 Cg_endo -67.71 64.39 0.87 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.716 2.277 . . . . 0.0 112.031 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.65 -24.4 33.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -95.75 33.99 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.962 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t 179.96 152.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.922 0.391 . . . . 0.0 110.387 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 107.76 5.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.255 0.55 . . . . 0.0 109.891 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' H ' HD12 ' A' ' 43' ' ' ILE . 12.5 t70 -143.63 122.16 12.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.085 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -52.66 -54.15 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.951 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -61.59 -50.6 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.02 -51.26 70.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.665 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.407 HD12 ' H ' ' A' ' 39' ' ' ASP . 4.4 mt -68.07 -41.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -53.99 -42.24 68.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.091 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -64.04 -43.9 94.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.28 -46.15 89.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.51 -41.45 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.24 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -45.72 87.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.618 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.51 -36.65 84.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -67.75 122.55 18.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.084 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.83 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -92.04 -8.87 44.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.217 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.85 -29.15 39.86 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.688 0.28 . . . . 0.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 36.49 1.7 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.818 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 p -145.92 21.26 1.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.75 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmt -57.25 -34.06 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.06 85.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.125 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -72.59 -39.24 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.904 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.1 -50.14 69.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.5 -46.94 73.54 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.28 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.73 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.95 83.85 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.46 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -55.93 -45.32 78.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.063 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.32 -41.32 62.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.74 -45.06 62.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 71' ' ' VAL . 56.5 t80 -52.15 -56.87 11.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.868 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' HIS . 8.9 tp10 -55.25 -40.52 71.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.228 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -58.14 -30.32 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.228 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.39 -30.93 26.99 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.007 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.5 t -90.97 -14.69 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.243 0.544 . . . . 0.0 109.899 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' GLU . 75.0 t60 -74.42 -11.77 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.547 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.3 ptmt -89.1 106.95 18.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.522 ' C ' ' O ' ' A' ' 2' ' ' LYS . 30.6 m 7.83 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.954 0.783 . . . . 0.0 112.584 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -48.96 -32.17 8.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.77 -44.85 84.59 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.322 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.9 m-70 -67.47 -36.45 81.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.483 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.4 -48.5 76.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tp -60.35 -28.88 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.893 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 10.6 mt -58.53 -23.27 57.8 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.823 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -66.32 -21.01 66.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.16 44.95 1.04 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -34.96 147.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.573 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.595 ' CD2' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -67.15 -41.43 34.49 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.648 -179.115 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.595 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 79.8 Cg_exo -44.73 100.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.355 2.037 . . . . 0.0 112.576 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tttm 71.17 76.28 0.23 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.601 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.43 123.28 6.98 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.499 2.133 . . . . 0.0 111.22 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -91.61 -80.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -80.48 169.45 17.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.169 0.509 . . . . 0.0 111.817 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -53.92 -40.13 66.45 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.968 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 21' ' ' SER . 15.5 tt -59.85 -41.32 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.2 p -64.47 -41.06 96.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.023 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.33 -41.43 84.58 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.974 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -39.03 86.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -54.21 -46.74 72.55 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -56.56 -48.91 76.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.244 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -63.52 -44.33 94.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.07 -41.82 93.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.395 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -87.22 37.86 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.57 157.48 27.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.777 0.322 . . . . 0.0 110.404 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -62.46 -77.34 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m -146.24 49.13 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 22.6 t80 -46.18 137.66 6.4 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.171 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 35.2 Cg_endo -66.02 72.37 0.36 Allowed 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.701 2.268 . . . . 0.0 112.39 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -57.62 -27.7 63.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.567 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 p -99.86 41.79 1.14 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.929 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.21 135.29 0.09 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 108.87 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.211 0.529 . . . . 0.0 110.086 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -143.38 126.49 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -52.87 -49.74 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.314 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.82 -52.16 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.71 -39.5 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.695 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -53.24 -48.58 68.08 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.425 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.7 m -63.03 -38.52 91.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.41 -47.66 84.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.88 -40.6 72.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.494 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.81 -41.43 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.216 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 45' ' ' SER . 7.3 mt -65.47 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.124 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.49 123.16 19.27 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.74 -0.466 . . . . 0.0 109.74 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.49 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.086 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -93.96 -9.36 37.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.18 -44.56 61.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -90.19 32.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.27 20.56 1.38 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.0 mmm -68.36 -35.09 77.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.85 68.97 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.761 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.1 -49.81 70.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.7 -44.42 63.15 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.8 -40.45 96.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.514 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.65 89.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.965 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -55.11 -47.97 74.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.562 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.27 -40.67 62.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.39 -42.55 65.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.029 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.68 -57.7 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 10.6 pt-20 -56.59 -48.59 77.07 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.196 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 p -52.49 -27.9 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.675 0.274 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.13 -56.01 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 112.071 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.05 -17.25 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 37.6 t60 -78.73 -16.26 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.608 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.496 ' HD2' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -59.2 158.27 9.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.18 140.86 55.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -67.82 -34.43 76.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.2 m-70 -67.96 -52.11 39.77 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.814 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.66 -51.8 67.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.06 -25.32 61.09 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.218 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 0.5 OUTLIER -58.73 -23.09 59.2 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.024 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -68.06 -16.93 64.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.353 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -95.4 46.55 1.11 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . 18.4 mtm180 -34.49 149.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.834 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -71.14 -36.72 5.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.1 -179.22 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 10.7 Cg_exo -66.38 21.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.011 1.807 . . . . 0.0 113.154 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 13' ' ' HIS . 24.1 tttt -170.17 70.42 0.6 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.041 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -87.57 102.11 0.5 Allowed 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.622 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -89.02 -76.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.56 172.03 11.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.142 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -52.05 -42.67 63.3 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 tt -60.62 -35.27 62.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.94 -43.58 95.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.89 -38.92 87.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.84 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.47 -47.77 84.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.06 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.445 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -53.75 -48.76 69.39 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.387 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.6 -50.43 72.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.412 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.52 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.31 -30.72 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.12 0.28 49.12 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.025 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.43 178.01 8.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.783 0.325 . . . . 0.0 110.686 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -173.15 24.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -139.04 -1.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 3.8 t80 -51.44 138.69 28.9 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.681 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 57.0 Cg_endo -73.49 61.86 4.39 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.605 2.203 . . . . 0.0 111.721 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.36 -25.1 48.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.742 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 t -97.07 33.0 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.2 t 179.2 98.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.0 107.88 18.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.909 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 43' ' ' ILE . 1.2 t0 -144.6 127.07 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.445 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -46.58 -47.82 19.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.414 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -62.97 -50.48 70.61 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.972 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.96 -47.94 84.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 39' ' ' ASP . 8.1 mm -65.87 -50.07 72.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.776 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -51.52 -45.07 62.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.8 p -63.84 -33.91 76.74 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 49' ' ' LEU . 46.4 t80 -59.35 -37.06 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.092 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.99 -48.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.152 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -22.47 66.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.65 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 46' ' ' TYR . 5.1 mt -65.68 -12.07 50.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -148.86 120.23 7.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.293 0.568 . . . . 0.0 110.922 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.32 8.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.091 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.77 -31.21 66.3 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.949 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -95.63 -22.64 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.43 -26.24 29.62 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -83.98 7.26 18.98 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 27.24 1.1 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.43 -38.58 81.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.235 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.69 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.954 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.6 m -73.61 -42.34 61.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.87 -50.72 65.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.35 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.81 -44.93 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.199 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.45 -40.23 92.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.125 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.79 88.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.064 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -54.83 -48.2 73.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -52.37 -40.45 62.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.341 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -70.95 -44.11 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -52.06 -55.93 17.57 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' HIS . 13.6 mm-40 -54.82 -50.59 68.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.9 t -51.59 -29.25 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -83.44 -56.01 3.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.73 13.16 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.995 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' GLU . 31.4 t60 -77.43 -19.09 56.58 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.293 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.864 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.687 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mmt . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -90.04 99.63 12.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.599 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.533 ' C ' ' O ' ' A' ' 2' ' ' LYS . 53.3 m 3.16 108.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.92 0.762 . . . . 0.0 112.365 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -47.07 -33.88 5.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -58.98 -45.5 90.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.6 m-70 -68.32 -39.03 82.12 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.19 -48.39 73.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.42 -32.78 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.347 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.0 mt -60.82 -23.0 64.75 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.55 -31.07 71.56 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ARG . 75.1 m-85 -89.95 10.6 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.242 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' TYR . 5.6 tpp180 25.19 -138.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.142 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.551 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 21.8 p-80 -161.79 56.67 0.7 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 95.5 Cg_endo -88.69 -94.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 123.212 2.608 . . . . 0.0 111.841 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -114.09 85.23 9.89 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.888 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.73 157.99 47.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.813 2.342 . . . . 0.0 113.11 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -151.66 -42.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.625 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -82.91 155.24 24.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.028 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.083 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 21' ' ' SER . 11.3 tt -62.96 -38.99 83.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.013 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 2.9 m -63.15 -49.04 75.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.79 -37.81 77.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.417 ' HB2' HG21 ' A' ' 59' ' ' THR . 78.2 t80 -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.64 -48.71 71.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.483 HD22 ' HB2' ' A' ' 13' ' ' HIS . 4.8 m120 -57.83 -48.31 80.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -62.99 -49.87 73.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -29.54 63.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -59.51 -32.53 70.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.15 -7.95 57.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -80.93 81.27 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 110.627 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -67.03 -1.33 4.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.079 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -98.87 -15.18 19.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.812 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.5 t80 -47.08 112.23 1.9 Allowed Pre-proline 0 CA--C 1.53 0.194 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.58 78.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.861 2.374 . . . . 0.0 112.682 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' PHE . 25.6 mtmm -60.81 -32.99 72.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 t -99.57 43.1 1.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.95 134.79 0.07 Allowed 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.5 107.3 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.307 0.575 . . . . 0.0 109.597 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -145.0 128.09 16.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.557 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.01 -54.18 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.586 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.31 -50.85 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.98 -51.78 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.57 -42.58 86.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.189 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -52.08 -41.47 62.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -63.41 -43.81 96.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.09 -38.82 84.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.243 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.14 -44.0 55.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.317 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -41.67 97.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.585 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.73 -36.88 84.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.6 113.12 5.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.924 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -25.82 62.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.7 -47.67 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.757 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -92.21 -6.1 51.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.562 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.5 tp -49.62 -39.69 36.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -96.48 44.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.938 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 m -143.69 1.86 1.19 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -38.24 55.22 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.21 88.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 23' ' ' PHE . 55.9 m -72.9 -45.76 56.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.04 -50.4 72.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.65 -48.99 68.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.413 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.79 -42.7 97.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.99 83.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.195 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -56.95 -46.84 81.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -52.32 -42.88 64.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.295 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.51 -43.39 66.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.344 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 71' ' ' VAL . 36.4 t80 -54.04 -58.13 8.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 72' ' ' HIS . 18.9 tt0 -55.5 -43.04 75.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -56.68 -29.76 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.325 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.86 -30.69 28.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.955 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.1 t -91.94 -16.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.0 110.152 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLU . 59.2 t60 -78.0 -7.42 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.608 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 tttp 68.06 104.81 0.05 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.125 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 136.11 57.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -55.34 -42.77 74.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.496 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.19 -41.34 99.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.47 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 21.9 m80 -66.32 -49.05 68.32 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.714 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.67 -52.37 65.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.31 -26.07 62.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.389 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.1 mt -60.05 -24.75 64.8 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.831 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -71.53 -18.16 62.28 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -95.79 46.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -41.86 160.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.835 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -69.48 -57.47 6.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.515 -178.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.577 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 82.8 Cg_exo -33.47 118.52 0.1 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 123.128 2.552 . . . . 0.0 113.491 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 68.26 57.01 0.7 Allowed Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.229 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 156.37 54.82 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.229 1.953 . . . . 0.0 110.881 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -149.15 -63.45 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.862 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.77 159.9 26.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 111.061 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -52.86 -44.25 66.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.479 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.6 tt -61.41 -35.44 66.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.804 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -64.34 -48.34 75.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.123 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.44 -38.4 77.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.29 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.35 -43.0 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.25 -44.99 76.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.15 -48.52 76.13 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -64.87 -49.87 68.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.06 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.49 -33.56 68.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.716 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 89.1 t80 -60.48 -27.47 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.099 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.78 -6.52 59.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.12 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.69 81.64 7.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.006 0.432 . . . . 0.0 110.167 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -10.1 15.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.984 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -97.0 -5.14 38.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -50.61 132.74 27.1 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.552 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.21 55.78 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.542 2.161 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.8 -24.91 38.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -98.53 32.35 2.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 104.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.15 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 38' ' ' THR . 4.7 t -105.18 108.35 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.991 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' H ' HD12 ' A' ' 43' ' ' ILE . 2.0 t0 -144.19 125.54 14.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.315 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 44' ' ' SER . 81.5 t80 -50.82 -51.54 50.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.759 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.38 -51.21 69.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 0.0 111.572 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.412 HD12 ' H ' ' A' ' 39' ' ' ASP . 16.2 mt -68.74 -40.27 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 27.7 t -51.84 -50.95 59.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.679 0.276 . . . . 0.0 110.753 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -63.35 -39.91 95.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.742 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.84 -45.49 92.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.25 -36.02 66.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.353 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.85 -48.84 75.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.156 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.72 -36.58 83.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -67.24 113.52 5.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.137 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.82 71.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.95 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.36 -33.95 77.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -94.43 -20.52 19.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 57' ' ' MET . 20.1 tp -55.36 -38.17 68.47 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -68.61 1.65 3.02 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.636 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -144.44 33.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.968 0.413 . . . . 0.0 110.785 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -62.18 -34.45 76.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.317 179.494 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.56 73.76 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.799 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 m -71.96 -38.63 69.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -63.39 -49.65 72.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.854 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -51.7 -45.86 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.936 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.35 -39.56 89.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.205 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.23 85.64 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.083 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -55.69 -47.1 77.35 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.049 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -52.42 -39.19 60.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.875 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.82 -47.05 64.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.766 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -51.59 -54.89 22.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.076 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' HIS . 47.5 mt-10 -55.4 -50.32 70.04 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -50.61 -27.44 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.196 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.36 -54.47 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.773 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.45 -16.68 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.5 t60 -76.82 -1.87 30.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.691 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 179.479 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.564 ' HD2' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -51.36 154.63 1.69 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.649 -179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -58.42 135.66 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.58 -38.6 69.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.18 -39.11 91.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -67.14 -52.23 44.16 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.2 -50.56 69.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.42 -28.88 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.948 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -23.47 61.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -68.96 -19.99 64.18 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.15 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' ARG . 31.6 m-85 -90.68 14.61 12.93 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.978 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' TYR . 49.3 mtm180 20.22 -136.83 0.0 OUTLIER 'General case' 0 C--N 1.341 0.209 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.59 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -162.21 41.82 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.606 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 73.8 Cg_endo -87.53 99.19 0.46 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.475 2.117 . . . . 0.0 111.952 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 46.02 85.3 0.17 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 120.71 0.29 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 161.39 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.705 2.27 . . . . 0.0 112.751 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -146.69 -43.9 0.19 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.99 152.96 26.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.238 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -53.67 -45.46 70.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.203 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 tt -64.98 -36.03 76.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 2.6 m -62.37 -46.49 88.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.54 -38.25 77.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.084 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.28 -41.11 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.672 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -48.47 75.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.153 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.571 HD22 ' HB2' ' A' ' 13' ' ' HIS . 4.6 m120 -56.47 -47.06 79.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -62.21 -50.75 70.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.59 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -29.32 64.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.55 -35.84 77.0 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.38 26.83 1.01 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 18.0 p-10 -78.2 -177.39 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.563 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 1.6 m80 -174.9 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.8 t -99.96 -14.4 18.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.277 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.448 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 58.6 t80 -49.47 139.02 15.29 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.413 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 44.1 Cg_endo -70.32 55.64 1.53 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -56.04 -25.13 43.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.618 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -95.6 40.59 1.11 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.25 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.33 118.38 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 38' ' ' THR . 5.0 t -107.68 107.19 17.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.214 0.53 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -146.13 120.93 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.582 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -56.71 -46.3 81.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.53 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -62.03 -52.62 63.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -62.89 -50.96 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.32 . . . . 0.0 111.441 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.693 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -52.62 -48.66 66.2 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -63.41 -36.0 82.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.423 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HA ' HD12 ' A' ' 49' ' ' LEU . 18.1 t80 -59.01 -40.29 84.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.7 -45.64 61.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.808 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.32 -26.0 68.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 46' ' ' TYR . 6.1 mt -65.87 -10.95 42.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.701 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -147.42 112.35 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.245 0.545 . . . . 0.0 110.655 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.14 -23.89 2.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.834 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.63 -30.38 65.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.496 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.35 -23.0 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.539 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.1 tp -54.03 -39.92 66.6 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.92 10.19 1.26 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.027 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.26 3.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 57' ' ' MET . 10.7 tpp -52.51 -30.54 30.86 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.12 98.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.141 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -73.34 -39.86 64.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -57.8 -50.49 73.09 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -54.95 -48.17 73.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.997 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.49 -39.14 93.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.6 89.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.14 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -54.62 -49.13 71.23 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.332 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -52.49 -41.55 63.48 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.099 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.22 -45.01 64.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.934 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CZ ' HG21 ' A' ' 71' ' ' VAL . 42.5 t80 -52.82 -57.38 10.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.028 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 72' ' ' HIS . 22.9 mm-40 -54.19 -44.59 71.7 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -55.14 -30.49 59.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.585 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -31.15 26.36 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.066 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 t -92.48 -54.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 68' ' ' GLU . 10.0 t-80 -70.32 5.1 1.87 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.467 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.679 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 3' ' ' SER . 1.1 ptmm? -152.99 -10.27 0.16 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 9.4 t 101.13 127.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.817 0.698 . . . . 0.0 110.447 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.52 -44.9 81.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.51 -46.21 89.49 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 31.5 m80 -66.64 -42.12 87.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -57.49 -47.59 81.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.08 -29.12 68.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.412 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 3.8 mt -59.32 -24.21 63.13 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.461 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -69.72 -22.22 63.41 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -95.42 46.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.673 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' NH2' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -32.5 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.519 -1.218 . . . . 0.0 112.399 -178.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.504 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.1 t60 -66.53 -46.28 58.34 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 54.8 Cg_exo -47.34 129.43 16.06 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.531 2.154 . . . . 0.0 113.146 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 53.32 61.48 10.86 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.989 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HG3' ' ND2' ' A' ' 25' ' ' ASN . 89.1 Cg_endo -80.73 -99.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.691 2.261 . . . . 0.0 111.729 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt 75.18 -22.25 0.27 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.429 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.82 142.11 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -53.85 -45.57 70.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 21' ' ' SER . 13.1 tt -65.63 -44.08 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.097 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 35.9 p -65.58 -37.8 87.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.381 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.31 -39.35 75.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -61.4 -44.71 96.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -58.71 -43.48 90.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.898 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 21' ' ' SER . 17.4 m120 -54.95 -47.49 74.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.329 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.4 -51.09 68.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.66 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.625 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.71 -26.45 68.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.49 1.25 49.64 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.5 -165.89 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -176.65 -29.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.239 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -93.9 -3.21 52.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.364 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 43.1 t80 -49.43 138.95 15.13 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.282 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 41.0 Cg_endo -68.32 57.39 0.93 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.724 2.282 . . . . 0.0 112.408 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -24.44 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' SER . 8.8 t -96.32 33.53 1.76 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' THR . 22.9 t 177.5 123.14 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.182 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 38' ' ' THR . 5.0 t -126.49 109.01 11.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.237 0.542 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.2 t0 -144.43 128.44 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.121 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -45.88 -47.06 16.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.204 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -63.03 -48.51 78.41 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.371 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.93 -50.85 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.29 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 39' ' ' ASP . 37.6 mm -63.85 -49.16 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -50.42 -41.04 51.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.55 -39.73 94.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.347 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 49' ' ' LEU . 44.8 t80 -59.86 -35.77 75.49 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 mt -74.83 -49.49 20.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.15 -23.49 67.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 46' ' ' TYR . 3.6 mt -65.78 -13.03 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -149.54 114.99 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -23.03 13.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.31 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -27.02 61.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -94.63 -22.88 17.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.609 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.92 -33.42 64.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.63 6.08 2.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -146.83 13.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.076 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.2 tpp -52.52 -39.7 61.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.22 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.32 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -72.42 -35.57 68.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.168 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -62.55 -49.81 73.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.917 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -53.98 -44.87 71.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.177 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.61 -45.23 91.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.25 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.62 89.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -55.02 -46.65 75.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.85 -38.49 61.54 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.89 -43.33 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.083 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -52.6 -57.83 8.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.516 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 11.4 pt-20 -56.11 -47.0 78.91 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 19.0 t -51.74 -28.0 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.297 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -82.86 -54.56 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.863 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.77 -14.25 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 34.7 t60 -75.72 3.07 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.641 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HD2' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -66.73 169.39 7.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -58.66 123.01 14.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.71 -43.36 72.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.95 -43.47 86.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.448 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -67.13 -49.58 64.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -54.95 -53.35 56.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.94 -28.5 62.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.814 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.39 -32.28 72.21 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.934 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -75.85 -16.85 60.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.52 35.79 1.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.547 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 15.0 mtm180 -54.72 168.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 21' ' ' SER . 3.0 t60 -164.6 58.3 0.61 Allowed Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.441 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 82.2 Cg_exo -41.06 137.68 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.591 2.194 . . . . 0.0 110.359 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 27.8 mmtm 65.12 54.45 1.16 Allowed Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 45.0 Cg_exo -35.96 150.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 124.252 3.301 . . . . 0.0 114.377 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 18' ' ' ASP . 16.7 ptmt -152.28 -47.5 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.226 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 35.1 t70 -84.39 156.96 21.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.574 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 m -57.51 -45.84 84.48 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.765 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.77 -34.84 73.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.892 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 16' ' ' PRO . 1.2 t -61.51 -46.04 91.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.243 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.47 -43.34 97.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.859 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.16 -51.4 68.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.275 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.1 67.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.659 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.55 -35.34 75.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.52 -48.38 79.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.643 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.82 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -60.56 -47.87 84.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.22 6.02 44.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.625 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 58.4 m-20 -77.88 169.4 18.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 12.1 m-70 -171.54 31.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.292 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -145.88 67.92 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.812 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HE2' HG23 ' A' ' 43' ' ' ILE . 10.6 t80 -179.72 142.97 0.37 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.919 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 1.4 Cg_endo -45.33 83.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.434 2.756 . . . . 0.0 112.758 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' PHE . 19.6 mmtp -58.84 -25.56 63.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.531 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -132.1 68.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.6 143.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.704 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.92 108.77 5.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.146 0.498 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.86 112.59 6.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.174 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -47.83 -53.3 15.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.075 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -52.09 63.77 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.87 -50.65 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.695 0.283 . . . . 0.0 111.409 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' HE2' ' A' ' 33' ' ' PHE . 47.2 mt -66.49 -39.92 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -50.63 -49.47 56.77 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.746 0.307 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -63.71 -42.69 97.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.444 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.82 -48.19 82.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.47 -43.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.86 -44.46 93.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.292 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.82 -36.47 83.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.38 110.92 3.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.64 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.65 -47.69 77.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 56' ' ' THR . 1.8 m-85 -93.8 -7.28 43.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.12 -30.71 38.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -83.01 9.88 9.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.74 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 53' ' ' TYR . 10.2 t -145.87 33.48 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 84.5 mmm -61.95 -35.57 78.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.167 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.05 68.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -72.31 -39.29 68.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.7 -50.49 73.27 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -53.87 -47.51 70.96 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -66.09 -43.65 86.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.14 87.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.138 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -54.56 -45.57 73.52 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -52.54 -42.28 64.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.119 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -71.43 -43.44 66.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.415 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.548 ' O ' HG23 ' A' ' 71' ' ' VAL . 88.1 t80 -52.94 -57.98 8.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' HIS . 85.4 tt0 -54.4 -43.35 71.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.8 t -57.5 -29.73 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.92 -31.01 28.0 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.2 t -90.7 -16.99 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 0.0 109.767 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' GLU . 37.5 t60 -78.12 -5.95 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.481 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.823 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.6 pttm -150.58 97.01 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 2' ' ' LYS . 21.6 t 9.08 104.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.504 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -47.72 -33.15 6.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -63.02 -45.35 92.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.7 m-70 -68.39 -40.87 81.2 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.672 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -56.2 -48.77 75.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.3 mt -59.01 -24.94 63.24 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.992 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -72.87 -17.8 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' C ' ' H ' ' A' ' 13' ' ' HIS . 33.5 m-85 -112.59 44.46 1.46 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 13' ' ' HIS . 41.1 mtp180 -58.26 -6.95 0.72 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.326 0.584 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 11' ' ' TYR . 20.4 m80 27.81 78.91 0.25 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.559 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.51 -2.1 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.211 1.941 . . . . 0.0 111.437 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -145.93 74.77 13.24 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.247 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -43.89 139.77 5.37 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 123.191 2.594 . . . . 0.0 112.915 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' H ' ' HB2' ' A' ' 21' ' ' SER . 47.9 mtmt -150.75 -60.04 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.14 163.23 20.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -53.63 -43.93 69.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.3 tt -66.49 -33.19 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.449 ' HB2' ' H ' ' A' ' 17' ' ' LYS . 9.5 m -64.39 -51.09 64.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.48 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 6.0 pt-20 -60.2 -38.55 83.63 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.211 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HB2' HG21 ' A' ' 59' ' ' THR . 48.8 t80 -63.18 -42.82 99.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.387 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.15 67.15 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' OD1' ' HA ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -59.12 -40.9 86.83 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.267 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.0 -50.06 72.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.73 68.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -57.85 -30.34 65.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.26 -7.45 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -81.44 71.01 8.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.011 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.81 -13.04 40.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -96.73 -2.91 43.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.5 t80 -49.12 138.12 13.94 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.389 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 52.5 Cg_endo -69.4 68.15 1.5 Allowed 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.603 2.202 . . . . 0.0 112.057 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -57.88 -35.01 70.38 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -96.46 41.19 1.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 t 179.42 107.42 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.405 ' HA ' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -121.65 107.73 12.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.205 0.526 . . . . 0.0 110.068 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.42 127.59 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -48.09 -53.61 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.003 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -63.29 -51.29 66.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.72 -51.97 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.604 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 38' ' ' THR . 44.4 mt -68.13 -35.33 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.846 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -54.1 -50.42 66.89 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -63.98 -32.53 74.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' HA ' HD12 ' A' ' 49' ' ' LEU . 41.4 t80 -58.72 -35.87 73.37 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.221 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -50.14 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.89 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.13 -19.42 65.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.72 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 46' ' ' TYR . 1.5 mt -65.87 -11.76 49.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -147.73 125.12 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.13 1.94 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.513 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 4.5 m-20 -56.67 -41.02 76.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.268 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.48 -18.37 20.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.806 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.49 -36.86 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' CE1' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -78.53 5.32 11.12 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -144.53 31.46 1.2 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -38.66 87.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.025 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.74 67.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.401 HG21 ' HB2' ' A' ' 23' ' ' PHE . 94.5 m -72.7 -45.45 58.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.47 -50.44 73.74 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -42.99 71.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.135 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.19 -41.75 89.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -46.72 89.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.897 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -55.13 -48.47 73.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -52.51 -39.0 60.8 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.169 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -72.86 -43.5 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.931 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -56.11 -59.16 5.32 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.761 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.642 ' O ' ' N ' ' A' ' 72' ' ' HIS . 2.0 pp20? -57.87 -37.86 74.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 121.03 0.443 . . . . 0.0 110.468 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -58.08 -33.61 69.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.13 -31.35 25.26 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.425 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.68 -55.03 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.269 0.556 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.642 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.9 t60 -70.67 -5.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.4 -49.43 1.43 Allowed Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 18.2 ttp85 46.95 -153.12 0.07 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.617 0.246 . . . . 0.0 111.097 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.6 mm? -88.47 29.04 1.02 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -93.6 41.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.501 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -56.41 136.13 53.88 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -140.71 -61.18 0.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -55.47 -41.52 73.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -98.02 101.42 12.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -81.78 48.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.0 m80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.454 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -94.64 -11.25 29.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 15.5 m 100.65 131.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.064 0.852 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' H ' ' HB ' ' A' ' 38' ' ' THR . 61.4 t80 -55.37 -38.12 68.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -67.81 -34.26 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 11.9 m170 -67.28 -44.58 78.94 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -57.7 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.98 -27.16 65.13 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.473 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.9 mt -58.52 -22.76 56.29 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.085 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -65.67 -17.08 64.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 109.961 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 13' ' ' HIS . 24.5 m-85 -99.02 52.92 0.97 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.618 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 59.8 mtm180 -53.03 61.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.586 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.631 ' N ' ' O ' ' A' ' 11' ' ' TYR . 48.3 p-80 28.32 50.21 0.3 Allowed Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.37 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.618 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 82.1 Cg_endo -79.7 -92.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.144 1.896 . . . . 0.0 112.2 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.42 93.89 17.38 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.107 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.01 125.95 13.19 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.711 2.274 . . . . 0.0 112.621 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -151.9 -49.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.824 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.2 154.86 25.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -53.54 -44.94 69.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.152 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 21' ' ' SER . 4.4 tt -65.08 -42.21 93.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.774 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 44.9 m -64.91 -48.94 72.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.076 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.62 -37.47 75.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 56' ' ' THR . 58.2 t80 -61.04 -41.42 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.647 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 4.9 m120 -56.19 -48.37 76.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.09 -51.22 68.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.027 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.37 68.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.9 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.94 26.87 0.69 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.71 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -160.46 87.31 0.76 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.013 0.435 . . . . 0.0 110.663 179.273 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.57 29.25 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.455 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 30' ' ' ASP . 80.0 p -107.04 -12.87 15.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.576 0.226 . . . . 0.0 110.803 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 1.6 t80 -47.55 141.14 7.29 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 47.7 Cg_endo -69.55 53.94 1.05 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.74 2.293 . . . . 0.0 112.566 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -57.75 -24.3 56.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -94.15 27.59 2.8 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t 177.5 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.709 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.507 ' HB ' ' H ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.19 107.81 18.77 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.303 0.573 . . . . 0.0 110.675 -179.578 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.71 133.56 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.612 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -47.09 -48.09 22.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -64.05 -47.72 79.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.267 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.82 -51.38 69.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG21 ' CE1' ' A' ' 60' ' ' PHE . 1.5 mp -66.25 -41.72 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -51.52 -48.6 62.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.27 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.5 t -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.78 -36.13 73.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.6 mt -73.72 -45.73 50.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -64.25 -30.02 71.09 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.265 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 -12.59 55.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -148.97 105.56 3.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.46 42.02 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.153 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.29 -27.62 68.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 56' ' ' THR . 39.8 m-85 -94.9 -19.42 20.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.647 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 56' ' ' THR . 6.8 tp -51.35 -23.82 4.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.608 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 55' ' ' HIS . 10.7 t-160 -72.58 23.64 0.06 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.152 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 53' ' ' TYR . 1.9 t -146.59 11.37 1.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.374 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -48.64 48.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.95 73.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.339 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 m -73.84 -42.45 60.83 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' ' 43' ' ' ILE . 6.3 t80 -57.18 -50.52 72.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.05 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.25 -48.38 71.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.037 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.96 -40.43 91.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.632 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.82 88.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.267 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -54.32 -48.05 71.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.243 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.62 -41.08 63.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.072 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -70.45 -46.07 64.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.691 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -52.81 -54.7 30.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.04 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 39.6 mm-40 -54.45 -48.95 71.13 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.61 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -52.66 -27.76 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.81 -54.42 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.88 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.1 -16.51 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 58.0 t-80 -76.72 -15.94 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.232 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.59 -1.63 12.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -80.91 157.78 25.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.752 0.311 . . . . 0.0 110.491 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.6 mm? -97.82 66.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.901 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.75 13.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.181 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 78' ' ' HIS . 86.6 t60 63.96 161.49 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.977 0.417 . . . . 0.0 110.978 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 1.2 p80 -159.42 146.84 17.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.769 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 157.54 37.98 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 61.3 -170.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.032 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -170.14 -62.1 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.483 -179.726 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.88 158.29 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.733 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 6' ' ' HIS . 23.1 t -59.99 138.56 57.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -56.08 -42.53 76.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.89 -39.9 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 3.8 m-70 -67.5 -49.18 64.65 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.12 -47.89 74.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 8' ' ' LEU . 7.4 tp -58.49 -31.35 67.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.5 mt -61.21 -24.08 66.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -69.39 -17.61 63.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -98.11 49.08 1.0 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -37.07 152.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.016 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.496 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.1 -51.31 14.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.046 -179.664 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 13' ' ' HIS . 97.9 Cg_exo -38.37 112.95 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.713 2.275 . . . . 0.0 113.227 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt 62.28 67.87 1.15 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.589 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -71.26 173.22 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.434 2.09 . . . . 0.0 110.889 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -77.26 0.16 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.48 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.03 163.58 24.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.94 0.4 . . . . 0.0 111.509 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -53.61 -41.02 66.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 21' ' ' SER . 10.0 tt -61.56 -38.43 80.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.003 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 7.4 m -64.09 -46.56 83.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.524 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.42 -39.49 79.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.382 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.03 -39.99 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -56.52 -45.07 81.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.27 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 13' ' ' HIS . 3.7 m120 -56.6 -40.8 75.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.44 -51.38 63.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -59.93 -29.45 68.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -85.07 0.29 52.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -79.14 -177.98 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.406 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -175.09 26.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -135.9 -18.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.2 t80 -48.78 136.32 13.45 Favored Pre-proline 0 C--N 1.334 -0.08 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.628 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 37.9 Cg_endo -67.71 64.39 0.87 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.716 2.277 . . . . 0.0 112.031 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.65 -24.4 33.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -95.75 33.99 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.962 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t 179.96 152.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.922 0.391 . . . . 0.0 110.387 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 107.76 5.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.255 0.55 . . . . 0.0 109.891 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' H ' HD12 ' A' ' 43' ' ' ILE . 12.5 t70 -143.63 122.16 12.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.085 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -52.66 -54.15 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.951 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -61.59 -50.6 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.02 -51.26 70.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.665 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.407 HD12 ' H ' ' A' ' 39' ' ' ASP . 4.4 mt -68.07 -41.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -53.99 -42.24 68.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.091 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -64.04 -43.9 94.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.28 -46.15 89.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.51 -41.45 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.24 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -45.72 87.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.618 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.51 -36.65 84.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -67.75 122.55 18.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.084 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.83 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -92.04 -8.87 44.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.217 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.85 -29.15 39.86 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.688 0.28 . . . . 0.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 36.49 1.7 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.818 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 p -145.92 21.26 1.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.75 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmt -57.25 -34.06 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.06 85.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.125 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -72.59 -39.24 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.904 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.1 -50.14 69.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.5 -46.94 73.54 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.28 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.73 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.95 83.85 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.46 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -55.93 -45.32 78.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.063 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.32 -41.32 62.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.74 -45.06 62.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 71' ' ' VAL . 56.5 t80 -52.15 -56.87 11.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.868 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' HIS . 8.9 tp10 -55.25 -40.52 71.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.228 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -58.14 -30.32 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.228 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.39 -30.93 26.99 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.007 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.5 t -90.97 -14.69 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.243 0.544 . . . . 0.0 109.899 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' GLU . 75.0 t60 -74.42 -11.77 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.91 -8.96 83.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -81.96 139.04 34.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 75' ' ' LEU . 4.6 mm? -90.02 30.71 1.04 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.16 0.505 . . . . 0.0 110.101 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.31 55.82 0.82 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.072 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -70.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.801 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -97.64 169.79 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -66.1 -18.12 65.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.01 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -56.55 130.9 47.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.42 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -151.98 -18.85 0.18 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.628 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.3 t60 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.758 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.3 ptmt -89.1 106.95 18.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.522 ' C ' ' O ' ' A' ' 2' ' ' LYS . 30.6 m 7.83 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.954 0.783 . . . . 0.0 112.584 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -48.96 -32.17 8.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.77 -44.85 84.59 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.322 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.9 m-70 -67.47 -36.45 81.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.483 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.4 -48.5 76.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tp -60.35 -28.88 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.893 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 10.6 mt -58.53 -23.27 57.8 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.823 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -66.32 -21.01 66.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.16 44.95 1.04 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -34.96 147.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.573 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.595 ' CD2' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -67.15 -41.43 34.49 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.648 -179.115 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.595 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 79.8 Cg_exo -44.73 100.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.355 2.037 . . . . 0.0 112.576 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tttm 71.17 76.28 0.23 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.601 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.43 123.28 6.98 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.499 2.133 . . . . 0.0 111.22 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -91.61 -80.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -80.48 169.45 17.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.169 0.509 . . . . 0.0 111.817 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -53.92 -40.13 66.45 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.968 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 21' ' ' SER . 15.5 tt -59.85 -41.32 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.2 p -64.47 -41.06 96.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.023 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.33 -41.43 84.58 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.974 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -39.03 86.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -54.21 -46.74 72.55 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -56.56 -48.91 76.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.244 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -63.52 -44.33 94.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.07 -41.82 93.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.395 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -87.22 37.86 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.57 157.48 27.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.777 0.322 . . . . 0.0 110.404 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -62.46 -77.34 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m -146.24 49.13 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 22.6 t80 -46.18 137.66 6.4 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.171 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 35.2 Cg_endo -66.02 72.37 0.36 Allowed 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.701 2.268 . . . . 0.0 112.39 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -57.62 -27.7 63.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.567 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 p -99.86 41.79 1.14 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.929 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.21 135.29 0.09 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 108.87 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.211 0.529 . . . . 0.0 110.086 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -143.38 126.49 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -52.87 -49.74 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.314 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.82 -52.16 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.71 -39.5 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.695 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -53.24 -48.58 68.08 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.425 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.7 m -63.03 -38.52 91.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.41 -47.66 84.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.88 -40.6 72.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.494 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.81 -41.43 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.216 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 45' ' ' SER . 7.3 mt -65.47 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.124 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.49 123.16 19.27 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.74 -0.466 . . . . 0.0 109.74 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.49 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.086 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -93.96 -9.36 37.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.18 -44.56 61.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -90.19 32.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.27 20.56 1.38 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.0 mmm -68.36 -35.09 77.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.85 68.97 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.761 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.1 -49.81 70.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.7 -44.42 63.15 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.8 -40.45 96.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.514 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.65 89.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.965 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -55.11 -47.97 74.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.562 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.27 -40.67 62.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.39 -42.55 65.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.029 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.68 -57.7 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 10.6 pt-20 -56.59 -48.59 77.07 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.196 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 p -52.49 -27.9 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.675 0.274 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.13 -56.01 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 112.071 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.05 -17.25 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 37.6 t60 -78.73 -16.26 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.608 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.39 -12.51 84.21 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -81.73 170.51 15.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.732 0.301 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 75' ' ' LEU . 4.4 mm? -81.93 48.75 1.26 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.059 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.49 44.67 1.01 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.49 102.6 0.04 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.214 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m170 58.44 -174.06 0.09 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.575 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -176.63 1.49 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.822 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -158.14 77.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.2 t60 65.33 112.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.496 ' HD2' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -59.2 158.27 9.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.18 140.86 55.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -67.82 -34.43 76.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.2 m-70 -67.96 -52.11 39.77 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.814 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.66 -51.8 67.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.06 -25.32 61.09 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.218 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 0.5 OUTLIER -58.73 -23.09 59.2 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.024 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -68.06 -16.93 64.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.353 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -95.4 46.55 1.11 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . 18.4 mtm180 -34.49 149.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.834 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -71.14 -36.72 5.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.1 -179.22 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 10.7 Cg_exo -66.38 21.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.011 1.807 . . . . 0.0 113.154 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 13' ' ' HIS . 24.1 tttt -170.17 70.42 0.6 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.041 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -87.57 102.11 0.5 Allowed 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.622 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -89.02 -76.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.56 172.03 11.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.142 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -52.05 -42.67 63.3 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 tt -60.62 -35.27 62.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.94 -43.58 95.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.89 -38.92 87.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.84 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.47 -47.77 84.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.06 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.445 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -53.75 -48.76 69.39 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.387 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.6 -50.43 72.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.412 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.52 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.31 -30.72 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.12 0.28 49.12 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.025 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.43 178.01 8.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.783 0.325 . . . . 0.0 110.686 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -173.15 24.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -139.04 -1.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 3.8 t80 -51.44 138.69 28.9 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.681 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 57.0 Cg_endo -73.49 61.86 4.39 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.605 2.203 . . . . 0.0 111.721 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.36 -25.1 48.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.742 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 t -97.07 33.0 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.2 t 179.2 98.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.0 107.88 18.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.909 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 43' ' ' ILE . 1.2 t0 -144.6 127.07 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.445 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -46.58 -47.82 19.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.414 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -62.97 -50.48 70.61 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.972 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.96 -47.94 84.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 39' ' ' ASP . 8.1 mm -65.87 -50.07 72.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.776 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -51.52 -45.07 62.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.8 p -63.84 -33.91 76.74 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 49' ' ' LEU . 46.4 t80 -59.35 -37.06 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.092 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.99 -48.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.152 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -22.47 66.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.65 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 46' ' ' TYR . 5.1 mt -65.68 -12.07 50.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -148.86 120.23 7.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.293 0.568 . . . . 0.0 110.922 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.32 8.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.091 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.77 -31.21 66.3 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.949 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -95.63 -22.64 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.43 -26.24 29.62 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -83.98 7.26 18.98 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 27.24 1.1 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.43 -38.58 81.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.235 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.69 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.954 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.6 m -73.61 -42.34 61.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.87 -50.72 65.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.35 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.81 -44.93 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.199 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.45 -40.23 92.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.125 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.79 88.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.064 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -54.83 -48.2 73.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -52.37 -40.45 62.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.341 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -70.95 -44.11 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -52.06 -55.93 17.57 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' HIS . 13.6 mm-40 -54.82 -50.59 68.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.9 t -51.59 -29.25 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -83.44 -56.01 3.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.73 13.16 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.995 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' GLU . 31.4 t60 -77.43 -19.09 56.58 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.293 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.28 -14.68 79.96 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.519 ' C ' HD22 ' A' ' 75' ' ' LEU . 9.9 mtm180 37.76 -152.94 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 112.228 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD22 ' C ' ' A' ' 74' ' ' ARG . 4.6 mm? -107.49 52.46 0.71 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.09 48.17 1.61 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.703 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -70.26 169.97 12.66 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.58 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -104.75 -68.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -49.4 133.44 19.96 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.136 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -78.97 171.3 15.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -71.2 134.45 46.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.702 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mmt . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -90.04 99.63 12.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.599 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.533 ' C ' ' O ' ' A' ' 2' ' ' LYS . 53.3 m 3.16 108.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.92 0.762 . . . . 0.0 112.365 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -47.07 -33.88 5.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -58.98 -45.5 90.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.6 m-70 -68.32 -39.03 82.12 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.19 -48.39 73.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.42 -32.78 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.347 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.0 mt -60.82 -23.0 64.75 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.55 -31.07 71.56 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ARG . 75.1 m-85 -89.95 10.6 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.242 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' TYR . 5.6 tpp180 25.19 -138.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.142 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.551 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 21.8 p-80 -161.79 56.67 0.7 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 95.5 Cg_endo -88.69 -94.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 123.212 2.608 . . . . 0.0 111.841 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -114.09 85.23 9.89 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.888 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.73 157.99 47.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.813 2.342 . . . . 0.0 113.11 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -151.66 -42.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.625 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -82.91 155.24 24.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.028 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.083 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 21' ' ' SER . 11.3 tt -62.96 -38.99 83.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.013 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 2.9 m -63.15 -49.04 75.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.79 -37.81 77.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.417 ' HB2' HG21 ' A' ' 59' ' ' THR . 78.2 t80 -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.64 -48.71 71.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.483 HD22 ' HB2' ' A' ' 13' ' ' HIS . 4.8 m120 -57.83 -48.31 80.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -62.99 -49.87 73.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -29.54 63.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -59.51 -32.53 70.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.15 -7.95 57.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -80.93 81.27 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 110.627 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -67.03 -1.33 4.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.079 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -98.87 -15.18 19.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.812 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.5 t80 -47.08 112.23 1.9 Allowed Pre-proline 0 CA--C 1.53 0.194 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.58 78.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.861 2.374 . . . . 0.0 112.682 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' PHE . 25.6 mtmm -60.81 -32.99 72.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 t -99.57 43.1 1.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.95 134.79 0.07 Allowed 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.5 107.3 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.307 0.575 . . . . 0.0 109.597 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -145.0 128.09 16.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.557 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.01 -54.18 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.586 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.31 -50.85 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.98 -51.78 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.57 -42.58 86.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.189 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -52.08 -41.47 62.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -63.41 -43.81 96.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.09 -38.82 84.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.243 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.14 -44.0 55.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.317 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -41.67 97.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.585 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.73 -36.88 84.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.6 113.12 5.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.924 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -25.82 62.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.7 -47.67 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.757 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -92.21 -6.1 51.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.562 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.5 tp -49.62 -39.69 36.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -96.48 44.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.938 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 m -143.69 1.86 1.19 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -38.24 55.22 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.21 88.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 23' ' ' PHE . 55.9 m -72.9 -45.76 56.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.04 -50.4 72.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.65 -48.99 68.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.413 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.79 -42.7 97.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.99 83.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.195 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -56.95 -46.84 81.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -52.32 -42.88 64.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.295 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.51 -43.39 66.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.344 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 71' ' ' VAL . 36.4 t80 -54.04 -58.13 8.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 72' ' ' HIS . 18.9 tt0 -55.5 -43.04 75.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -56.68 -29.76 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.325 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.86 -30.69 28.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.955 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.1 t -91.94 -16.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.0 110.152 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLU . 59.2 t60 -78.0 -7.42 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.608 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.28 -44.18 51.93 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -82.14 149.48 27.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.749 0.309 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.513 ' N ' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -105.07 24.27 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 70.94 -49.05 0.67 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.937 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -88.8 160.3 17.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.58 24.14 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.642 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 69.04 117.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -103.55 -93.32 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.443 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -159.92 -43.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.535 179.678 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 tttp 68.06 104.81 0.05 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.125 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 136.11 57.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -55.34 -42.77 74.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.496 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.19 -41.34 99.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.47 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 21.9 m80 -66.32 -49.05 68.32 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.714 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.67 -52.37 65.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.31 -26.07 62.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.389 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.1 mt -60.05 -24.75 64.8 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.831 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -71.53 -18.16 62.28 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -95.79 46.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -41.86 160.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.835 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -69.48 -57.47 6.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.515 -178.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.577 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 82.8 Cg_exo -33.47 118.52 0.1 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 123.128 2.552 . . . . 0.0 113.491 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 68.26 57.01 0.7 Allowed Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.229 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 156.37 54.82 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.229 1.953 . . . . 0.0 110.881 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -149.15 -63.45 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.862 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.77 159.9 26.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 111.061 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -52.86 -44.25 66.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.479 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.6 tt -61.41 -35.44 66.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.804 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -64.34 -48.34 75.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.123 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.44 -38.4 77.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.29 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.35 -43.0 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.25 -44.99 76.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.15 -48.52 76.13 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -64.87 -49.87 68.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.06 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.49 -33.56 68.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.716 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 89.1 t80 -60.48 -27.47 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.099 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.78 -6.52 59.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.12 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.69 81.64 7.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.006 0.432 . . . . 0.0 110.167 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -10.1 15.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.984 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -97.0 -5.14 38.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -50.61 132.74 27.1 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.552 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.21 55.78 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.542 2.161 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.8 -24.91 38.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -98.53 32.35 2.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 104.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.15 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 38' ' ' THR . 4.7 t -105.18 108.35 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.991 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' H ' HD12 ' A' ' 43' ' ' ILE . 2.0 t0 -144.19 125.54 14.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.315 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 44' ' ' SER . 81.5 t80 -50.82 -51.54 50.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.759 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.38 -51.21 69.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 0.0 111.572 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.412 HD12 ' H ' ' A' ' 39' ' ' ASP . 16.2 mt -68.74 -40.27 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 27.7 t -51.84 -50.95 59.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.679 0.276 . . . . 0.0 110.753 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -63.35 -39.91 95.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.742 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.84 -45.49 92.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.25 -36.02 66.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.353 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.85 -48.84 75.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.156 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.72 -36.58 83.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -67.24 113.52 5.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.137 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.82 71.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.95 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.36 -33.95 77.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -94.43 -20.52 19.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 57' ' ' MET . 20.1 tp -55.36 -38.17 68.47 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -68.61 1.65 3.02 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.636 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -144.44 33.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.968 0.413 . . . . 0.0 110.785 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -62.18 -34.45 76.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.317 179.494 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.56 73.76 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.799 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 m -71.96 -38.63 69.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -63.39 -49.65 72.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.854 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -51.7 -45.86 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.936 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.35 -39.56 89.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.205 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.23 85.64 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.083 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -55.69 -47.1 77.35 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.049 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -52.42 -39.19 60.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.875 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.82 -47.05 64.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.766 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -51.59 -54.89 22.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.076 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' HIS . 47.5 mt-10 -55.4 -50.32 70.04 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -50.61 -27.44 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.196 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.36 -54.47 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.773 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.45 -16.68 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.5 t60 -76.82 -1.87 30.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.691 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.48 -18.07 61.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -82.42 -130.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.421 . . . . 0.0 110.903 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 75' ' ' LEU . 4.3 mm? 62.32 33.01 16.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.746 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.92 27.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.208 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' 75' ' ' LEU . 12.1 p80 -143.47 158.03 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.541 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -161.14 115.48 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -80.44 155.35 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.661 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 62.24 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.5 -178.94 5.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.657 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.61 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.564 ' HD2' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -51.36 154.63 1.69 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.649 -179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -58.42 135.66 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.58 -38.6 69.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.18 -39.11 91.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -67.14 -52.23 44.16 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.2 -50.56 69.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.42 -28.88 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.948 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -23.47 61.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -68.96 -19.99 64.18 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.15 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' ARG . 31.6 m-85 -90.68 14.61 12.93 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.978 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' TYR . 49.3 mtm180 20.22 -136.83 0.0 OUTLIER 'General case' 0 C--N 1.341 0.209 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.59 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -162.21 41.82 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.606 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 73.8 Cg_endo -87.53 99.19 0.46 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.475 2.117 . . . . 0.0 111.952 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 46.02 85.3 0.17 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 120.71 0.29 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 161.39 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.705 2.27 . . . . 0.0 112.751 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -146.69 -43.9 0.19 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.99 152.96 26.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.238 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -53.67 -45.46 70.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.203 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 tt -64.98 -36.03 76.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 2.6 m -62.37 -46.49 88.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.54 -38.25 77.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.084 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.28 -41.11 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.672 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -48.47 75.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.153 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.571 HD22 ' HB2' ' A' ' 13' ' ' HIS . 4.6 m120 -56.47 -47.06 79.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -62.21 -50.75 70.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.59 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -29.32 64.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.55 -35.84 77.0 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.38 26.83 1.01 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 18.0 p-10 -78.2 -177.39 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.563 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 1.6 m80 -174.9 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.8 t -99.96 -14.4 18.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.277 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.448 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 58.6 t80 -49.47 139.02 15.29 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.413 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 44.1 Cg_endo -70.32 55.64 1.53 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -56.04 -25.13 43.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.618 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -95.6 40.59 1.11 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.25 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.33 118.38 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 38' ' ' THR . 5.0 t -107.68 107.19 17.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.214 0.53 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -146.13 120.93 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.582 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -56.71 -46.3 81.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.53 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -62.03 -52.62 63.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -62.89 -50.96 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.32 . . . . 0.0 111.441 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.693 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -52.62 -48.66 66.2 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -63.41 -36.0 82.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.423 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HA ' HD12 ' A' ' 49' ' ' LEU . 18.1 t80 -59.01 -40.29 84.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.7 -45.64 61.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.808 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.32 -26.0 68.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 46' ' ' TYR . 6.1 mt -65.87 -10.95 42.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.701 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -147.42 112.35 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.245 0.545 . . . . 0.0 110.655 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.14 -23.89 2.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.834 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.63 -30.38 65.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.496 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.35 -23.0 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.539 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.1 tp -54.03 -39.92 66.6 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.92 10.19 1.26 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.027 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.26 3.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 57' ' ' MET . 10.7 tpp -52.51 -30.54 30.86 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.12 98.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.141 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -73.34 -39.86 64.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -57.8 -50.49 73.09 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -54.95 -48.17 73.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.997 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.49 -39.14 93.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.6 89.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.14 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -54.62 -49.13 71.23 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.332 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -52.49 -41.55 63.48 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.099 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.22 -45.01 64.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.934 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CZ ' HG21 ' A' ' 71' ' ' VAL . 42.5 t80 -52.82 -57.38 10.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.028 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 72' ' ' HIS . 22.9 mm-40 -54.19 -44.59 71.7 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -55.14 -30.49 59.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.585 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -31.15 26.36 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.066 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 t -92.48 -54.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 68' ' ' GLU . 10.0 t-80 -70.32 5.1 1.87 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.467 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.62 -0.73 2.12 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 72' ' ' HIS . 10.6 ptt-85 -79.3 163.97 24.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.884 0.373 . . . . 0.0 110.544 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.26 29.16 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -150.99 58.07 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.148 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -56.48 137.18 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.848 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -144.34 158.2 43.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -90.23 -81.06 0.31 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 88.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.607 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -138.22 4.55 2.46 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.774 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 3' ' ' SER . 1.1 ptmm? -152.99 -10.27 0.16 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 9.4 t 101.13 127.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.817 0.698 . . . . 0.0 110.447 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.52 -44.9 81.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.51 -46.21 89.49 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 31.5 m80 -66.64 -42.12 87.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -57.49 -47.59 81.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.08 -29.12 68.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.412 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 3.8 mt -59.32 -24.21 63.13 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.461 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -69.72 -22.22 63.41 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -95.42 46.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.673 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' NH2' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -32.5 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.519 -1.218 . . . . 0.0 112.399 -178.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.504 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.1 t60 -66.53 -46.28 58.34 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 54.8 Cg_exo -47.34 129.43 16.06 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.531 2.154 . . . . 0.0 113.146 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 53.32 61.48 10.86 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.989 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HG3' ' ND2' ' A' ' 25' ' ' ASN . 89.1 Cg_endo -80.73 -99.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.691 2.261 . . . . 0.0 111.729 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt 75.18 -22.25 0.27 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.429 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.82 142.11 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -53.85 -45.57 70.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 21' ' ' SER . 13.1 tt -65.63 -44.08 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.097 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 35.9 p -65.58 -37.8 87.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.381 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.31 -39.35 75.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -61.4 -44.71 96.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -58.71 -43.48 90.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.898 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 21' ' ' SER . 17.4 m120 -54.95 -47.49 74.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.329 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.4 -51.09 68.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.66 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.625 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.71 -26.45 68.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.49 1.25 49.64 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.5 -165.89 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -176.65 -29.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.239 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -93.9 -3.21 52.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.364 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 43.1 t80 -49.43 138.95 15.13 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.282 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 41.0 Cg_endo -68.32 57.39 0.93 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.724 2.282 . . . . 0.0 112.408 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -24.44 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' SER . 8.8 t -96.32 33.53 1.76 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' THR . 22.9 t 177.5 123.14 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.182 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 38' ' ' THR . 5.0 t -126.49 109.01 11.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.237 0.542 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.2 t0 -144.43 128.44 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.121 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -45.88 -47.06 16.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.204 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -63.03 -48.51 78.41 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.371 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.93 -50.85 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.29 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 39' ' ' ASP . 37.6 mm -63.85 -49.16 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -50.42 -41.04 51.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.55 -39.73 94.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.347 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 49' ' ' LEU . 44.8 t80 -59.86 -35.77 75.49 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 mt -74.83 -49.49 20.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.15 -23.49 67.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 46' ' ' TYR . 3.6 mt -65.78 -13.03 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -149.54 114.99 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -23.03 13.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.31 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -27.02 61.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -94.63 -22.88 17.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.609 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.92 -33.42 64.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.63 6.08 2.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -146.83 13.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.076 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.2 tpp -52.52 -39.7 61.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.22 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.32 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -72.42 -35.57 68.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.168 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -62.55 -49.81 73.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.917 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -53.98 -44.87 71.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.177 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.61 -45.23 91.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.25 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.62 89.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -55.02 -46.65 75.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.85 -38.49 61.54 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.89 -43.33 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.083 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -52.6 -57.83 8.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.516 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 11.4 pt-20 -56.11 -47.0 78.91 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 19.0 t -51.74 -28.0 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.297 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -82.86 -54.56 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.863 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.77 -14.25 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 34.7 t60 -75.72 3.07 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.0 -21.01 68.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -83.23 -133.67 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.045 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 77' ' ' HIS . 4.5 mm? 60.27 38.42 19.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.88 23.82 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.581 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.7 p-80 -140.36 10.26 2.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.876 0.369 . . . . 0.0 110.553 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.447 ' ND1' ' N ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -69.59 152.65 44.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.83 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -155.88 150.07 25.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.466 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 61.3 163.5 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -80.04 66.34 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.194 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.4 t60 . . . . . 0 C--O 1.222 -0.346 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.487 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HD2' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -66.73 169.39 7.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -58.66 123.01 14.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.71 -43.36 72.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.95 -43.47 86.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.448 ' N ' ' ND1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -67.13 -49.58 64.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -54.95 -53.35 56.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.94 -28.5 62.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.814 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.39 -32.28 72.21 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.934 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -75.85 -16.85 60.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.52 35.79 1.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.547 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 15.0 mtm180 -54.72 168.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 21' ' ' SER . 3.0 t60 -164.6 58.3 0.61 Allowed Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.441 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 82.2 Cg_exo -41.06 137.68 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.591 2.194 . . . . 0.0 110.359 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 27.8 mmtm 65.12 54.45 1.16 Allowed Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 45.0 Cg_exo -35.96 150.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 124.252 3.301 . . . . 0.0 114.377 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 18' ' ' ASP . 16.7 ptmt -152.28 -47.5 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.226 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 35.1 t70 -84.39 156.96 21.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.574 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 m -57.51 -45.84 84.48 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.765 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.77 -34.84 73.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.892 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 16' ' ' PRO . 1.2 t -61.51 -46.04 91.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.243 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.47 -43.34 97.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.859 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.16 -51.4 68.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.275 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.1 67.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.659 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.55 -35.34 75.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.52 -48.38 79.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.643 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.82 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -60.56 -47.87 84.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.22 6.02 44.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.625 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 58.4 m-20 -77.88 169.4 18.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 12.1 m-70 -171.54 31.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.292 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -145.88 67.92 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.812 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HE2' HG23 ' A' ' 43' ' ' ILE . 10.6 t80 -179.72 142.97 0.37 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.919 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 1.4 Cg_endo -45.33 83.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.434 2.756 . . . . 0.0 112.758 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' PHE . 19.6 mmtp -58.84 -25.56 63.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.531 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -132.1 68.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.6 143.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.704 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.92 108.77 5.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.146 0.498 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.86 112.59 6.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.174 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -47.83 -53.3 15.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.075 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -52.09 63.77 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.87 -50.65 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.695 0.283 . . . . 0.0 111.409 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' HE2' ' A' ' 33' ' ' PHE . 47.2 mt -66.49 -39.92 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -50.63 -49.47 56.77 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.746 0.307 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -63.71 -42.69 97.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.444 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.82 -48.19 82.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.47 -43.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.86 -44.46 93.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.292 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.82 -36.47 83.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.38 110.92 3.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.64 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.65 -47.69 77.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 56' ' ' THR . 1.8 m-85 -93.8 -7.28 43.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.12 -30.71 38.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -83.01 9.88 9.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.74 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 53' ' ' TYR . 10.2 t -145.87 33.48 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 84.5 mmm -61.95 -35.57 78.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.167 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.05 68.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -72.31 -39.29 68.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.7 -50.49 73.27 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -53.87 -47.51 70.96 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -66.09 -43.65 86.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.14 87.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.138 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -54.56 -45.57 73.52 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -52.54 -42.28 64.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.119 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -71.43 -43.44 66.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.415 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.548 ' O ' HG23 ' A' ' 71' ' ' VAL . 88.1 t80 -52.94 -57.98 8.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' HIS . 85.4 tt0 -54.4 -43.35 71.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.8 t -57.5 -29.73 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.92 -31.01 28.0 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.2 t -90.7 -16.99 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 0.0 109.767 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' GLU . 37.5 t60 -78.12 -5.95 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.481 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.87 -48.34 2.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -81.13 145.18 31.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.919 0.39 . . . . 0.0 110.68 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' HA ' HD13 ' A' ' 75' ' ' LEU . 4.2 mm? -108.45 29.5 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -84.93 48.47 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -122.67 29.99 6.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.115 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.27 54.57 0.79 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.666 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 41.16 66.64 0.63 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.045 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -77.56 -156.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -50.03 127.64 17.06 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.361 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.6 pttm -150.58 97.01 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 2' ' ' LYS . 21.6 t 9.08 104.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.504 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -47.72 -33.15 6.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -63.02 -45.35 92.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.7 m-70 -68.39 -40.87 81.2 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.672 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -56.2 -48.77 75.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.3 mt -59.01 -24.94 63.24 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.992 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -72.87 -17.8 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' C ' ' H ' ' A' ' 13' ' ' HIS . 33.5 m-85 -112.59 44.46 1.46 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 13' ' ' HIS . 41.1 mtp180 -58.26 -6.95 0.72 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.326 0.584 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 11' ' ' TYR . 20.4 m80 27.81 78.91 0.25 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.559 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.51 -2.1 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.211 1.941 . . . . 0.0 111.437 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -145.93 74.77 13.24 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.247 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -43.89 139.77 5.37 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 123.191 2.594 . . . . 0.0 112.915 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' H ' ' HB2' ' A' ' 21' ' ' SER . 47.9 mtmt -150.75 -60.04 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.14 163.23 20.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -53.63 -43.93 69.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.3 tt -66.49 -33.19 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.449 ' HB2' ' H ' ' A' ' 17' ' ' LYS . 9.5 m -64.39 -51.09 64.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.48 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 6.0 pt-20 -60.2 -38.55 83.63 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.211 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HB2' HG21 ' A' ' 59' ' ' THR . 48.8 t80 -63.18 -42.82 99.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.387 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.15 67.15 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.526 ' OD1' ' HA ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -59.12 -40.9 86.83 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.267 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.0 -50.06 72.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.73 68.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -57.85 -30.34 65.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.26 -7.45 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -81.44 71.01 8.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.011 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.81 -13.04 40.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -96.73 -2.91 43.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.5 t80 -49.12 138.12 13.94 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.389 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 52.5 Cg_endo -69.4 68.15 1.5 Allowed 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.603 2.202 . . . . 0.0 112.057 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -57.88 -35.01 70.38 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -96.46 41.19 1.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 t 179.42 107.42 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.405 ' HA ' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -121.65 107.73 12.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.205 0.526 . . . . 0.0 110.068 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.42 127.59 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -48.09 -53.61 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.003 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -63.29 -51.29 66.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.72 -51.97 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.604 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 38' ' ' THR . 44.4 mt -68.13 -35.33 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.846 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -54.1 -50.42 66.89 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -63.98 -32.53 74.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.58 ' HA ' HD12 ' A' ' 49' ' ' LEU . 41.4 t80 -58.72 -35.87 73.37 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.221 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -50.14 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.89 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.13 -19.42 65.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.72 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 46' ' ' TYR . 1.5 mt -65.87 -11.76 49.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -147.73 125.12 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.13 1.94 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.513 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 4.5 m-20 -56.67 -41.02 76.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.268 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.48 -18.37 20.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.806 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.49 -36.86 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -78.53 5.32 11.12 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -144.53 31.46 1.2 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -38.66 87.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.025 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.74 67.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.401 HG21 ' HB2' ' A' ' 23' ' ' PHE . 94.5 m -72.7 -45.45 58.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.47 -50.44 73.74 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -42.99 71.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.135 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.19 -41.75 89.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -46.72 89.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.897 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -55.13 -48.47 73.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -52.51 -39.0 60.8 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.169 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -72.86 -43.5 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.931 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -56.11 -59.16 5.32 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.761 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.642 ' O ' ' N ' ' A' ' 72' ' ' HIS . 2.0 pp20? -57.87 -37.86 74.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 121.03 0.443 . . . . 0.0 110.468 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -58.08 -33.61 69.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.13 -31.35 25.26 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.425 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.68 -55.03 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.269 0.556 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.642 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.9 t60 -70.67 -5.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.329 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -94.64 -11.25 29.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 15.5 m 100.65 131.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.064 0.852 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.507 ' H ' ' HB ' ' A' ' 38' ' ' THR . 61.4 t80 -55.37 -38.12 68.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -67.81 -34.26 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 11.9 m170 -67.28 -44.58 78.94 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -57.7 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.98 -27.16 65.13 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.473 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.9 mt -58.52 -22.76 56.29 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.085 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -65.67 -17.08 64.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 109.961 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 13' ' ' HIS . 24.5 m-85 -99.02 52.92 0.97 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.618 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 59.8 mtm180 -53.03 61.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.586 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.631 ' N ' ' O ' ' A' ' 11' ' ' TYR . 48.3 p-80 28.32 50.21 0.3 Allowed Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.37 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.618 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 82.1 Cg_endo -79.7 -92.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.144 1.896 . . . . 0.0 112.2 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.42 93.89 17.38 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.107 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.01 125.95 13.19 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.711 2.274 . . . . 0.0 112.621 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -151.9 -49.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.824 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.2 154.86 25.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -53.54 -44.94 69.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.152 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 21' ' ' SER . 4.4 tt -65.08 -42.21 93.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.774 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 44.9 m -64.91 -48.94 72.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.076 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.62 -37.47 75.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 56' ' ' THR . 58.2 t80 -61.04 -41.42 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.647 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 4.9 m120 -56.19 -48.37 76.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.09 -51.22 68.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.027 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.37 68.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.9 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.94 26.87 0.69 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.71 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -160.46 87.31 0.76 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.013 0.435 . . . . 0.0 110.663 179.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.57 29.25 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.455 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 30' ' ' ASP . 80.0 p -107.04 -12.87 15.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.576 0.226 . . . . 0.0 110.803 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 1.6 t80 -47.55 141.14 7.29 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 47.7 Cg_endo -69.55 53.94 1.05 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.74 2.293 . . . . 0.0 112.566 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -57.75 -24.3 56.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -94.15 27.59 2.8 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t 177.5 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.709 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.507 ' HB ' ' H ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.19 107.81 18.77 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.303 0.573 . . . . 0.0 110.675 -179.578 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.71 133.56 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.612 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -47.09 -48.09 22.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -64.05 -47.72 79.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.267 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.82 -51.38 69.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.423 HG21 ' CE1' ' A' ' 60' ' ' PHE . 1.5 mp -66.25 -41.72 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -51.52 -48.6 62.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.27 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.5 t -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.78 -36.13 73.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.6 mt -73.72 -45.73 50.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -64.25 -30.02 71.09 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.265 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 -12.59 55.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -148.97 105.56 3.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.46 42.02 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.153 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.29 -27.62 68.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 56' ' ' THR . 39.8 m-85 -94.9 -19.42 20.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.647 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 56' ' ' THR . 6.8 tp -51.35 -23.82 4.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.608 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 10.7 t-160 -72.58 23.64 0.06 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.152 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 53' ' ' TYR . 1.9 t -146.59 11.37 1.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.374 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -48.64 48.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.95 73.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.339 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 m -73.84 -42.45 60.83 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' ' 43' ' ' ILE . 6.3 t80 -57.18 -50.52 72.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.05 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.25 -48.38 71.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.037 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.96 -40.43 91.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.632 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.82 88.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.267 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -54.32 -48.05 71.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.243 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.62 -41.08 63.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.072 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -70.45 -46.07 64.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.691 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -52.81 -54.7 30.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.04 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 39.6 mm-40 -54.45 -48.95 71.13 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.61 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -52.66 -27.76 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.81 -54.42 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.88 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.1 -16.51 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 58.0 t-80 -76.72 -15.94 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.232 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.602 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.88 158.29 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.733 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 6' ' ' HIS . 23.1 t -59.99 138.56 57.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -56.08 -42.53 76.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.89 -39.9 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 3.8 m-70 -67.5 -49.18 64.65 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.12 -47.89 74.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 8' ' ' LEU . 7.4 tp -58.49 -31.35 67.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.5 mt -61.21 -24.08 66.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -69.39 -17.61 63.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -98.11 49.08 1.0 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -37.07 152.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.016 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.559 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.1 -51.31 14.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.046 -179.664 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 13' ' ' HIS . 97.9 Cg_exo -38.37 112.95 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.713 2.275 . . . . 0.0 113.227 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt 62.28 67.87 1.15 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.589 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -71.26 173.22 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.434 2.09 . . . . 0.0 110.889 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -77.26 0.16 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.48 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.03 163.58 24.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.94 0.4 . . . . 0.0 111.509 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -53.61 -41.02 66.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 21' ' ' SER . 10.0 tt -61.56 -38.43 80.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.003 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 7.4 m -64.09 -46.56 83.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.524 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.42 -39.49 79.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.382 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.03 -39.99 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -56.52 -45.07 81.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.27 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.522 HD22 ' CD2' ' A' ' 13' ' ' HIS . 3.7 m120 -56.6 -40.8 75.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.44 -51.38 63.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -59.93 -29.45 68.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -85.07 0.29 52.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -79.14 -177.98 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.406 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -175.09 26.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -135.9 -18.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.2 t80 -48.78 136.32 13.45 Favored Pre-proline 0 C--N 1.334 -0.08 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.628 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 37.9 Cg_endo -67.71 64.39 0.87 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.716 2.277 . . . . 0.0 112.031 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.65 -24.4 33.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -95.75 33.99 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.962 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t 179.96 152.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.922 0.391 . . . . 0.0 110.387 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 107.76 5.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.255 0.55 . . . . 0.0 109.891 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' H ' HD12 ' A' ' 43' ' ' ILE . 12.5 t70 -143.63 122.16 12.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.085 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -52.66 -54.15 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.951 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -61.59 -50.6 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.02 -51.26 70.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.665 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.407 HD12 ' H ' ' A' ' 39' ' ' ASP . 4.4 mt -68.07 -41.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -53.99 -42.24 68.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.091 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -64.04 -43.9 94.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.28 -46.15 89.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.51 -41.45 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.24 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -45.72 87.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.618 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.51 -36.65 84.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -67.75 122.55 18.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.084 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.83 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -92.04 -8.87 44.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.217 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.85 -29.15 39.86 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.688 0.28 . . . . 0.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 36.49 1.7 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.818 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 p -145.92 21.26 1.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.75 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmt -57.25 -34.06 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.06 85.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.125 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -72.59 -39.24 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.904 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.1 -50.14 69.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.5 -46.94 73.54 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.28 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.73 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.95 83.85 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.46 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -55.93 -45.32 78.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.063 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.32 -41.32 62.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.74 -45.06 62.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 71' ' ' VAL . 56.5 t80 -52.15 -56.87 11.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.868 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' HIS . 8.9 tp10 -55.25 -40.52 71.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.228 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -58.14 -30.32 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.228 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.39 -30.93 26.99 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.007 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.5 t -90.97 -14.69 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.243 0.544 . . . . 0.0 109.899 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' GLU . 75.0 t60 -74.42 -11.77 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.547 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.3 ptmt -89.1 106.95 18.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.522 ' C ' ' O ' ' A' ' 2' ' ' LYS . 30.6 m 7.83 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.954 0.783 . . . . 0.0 112.584 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -48.96 -32.17 8.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.77 -44.85 84.59 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.322 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.9 m-70 -67.47 -36.45 81.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.483 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.4 -48.5 76.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tp -60.35 -28.88 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.893 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 10.6 mt -58.53 -23.27 57.8 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.823 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -66.32 -21.01 66.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.16 44.95 1.04 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -34.96 147.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.573 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.553 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -67.15 -41.43 34.49 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.648 -179.115 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 79.8 Cg_exo -44.73 100.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.355 2.037 . . . . 0.0 112.576 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tttm 71.17 76.28 0.23 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.601 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.43 123.28 6.98 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.499 2.133 . . . . 0.0 111.22 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -91.61 -80.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -80.48 169.45 17.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.169 0.509 . . . . 0.0 111.817 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -53.92 -40.13 66.45 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.968 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 21' ' ' SER . 15.5 tt -59.85 -41.32 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.2 p -64.47 -41.06 96.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.023 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.33 -41.43 84.58 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.974 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -39.03 86.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -54.21 -46.74 72.55 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -56.56 -48.91 76.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.244 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -63.52 -44.33 94.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.07 -41.82 93.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.395 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -87.22 37.86 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.57 157.48 27.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.777 0.322 . . . . 0.0 110.404 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -62.46 -77.34 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m -146.24 49.13 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 22.6 t80 -46.18 137.66 6.4 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.171 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 35.2 Cg_endo -66.02 72.37 0.36 Allowed 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.701 2.268 . . . . 0.0 112.39 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -57.62 -27.7 63.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.567 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 p -99.86 41.79 1.14 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.929 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.21 135.29 0.09 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 108.87 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.211 0.529 . . . . 0.0 110.086 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -143.38 126.49 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -52.87 -49.74 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.314 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.82 -52.16 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.71 -39.5 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.695 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -53.24 -48.58 68.08 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.425 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.7 m -63.03 -38.52 91.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.41 -47.66 84.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.88 -40.6 72.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.494 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.81 -41.43 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.216 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 45' ' ' SER . 7.3 mt -65.47 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.124 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.49 123.16 19.27 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.74 -0.466 . . . . 0.0 109.74 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.49 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.086 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -93.96 -9.36 37.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.18 -44.56 61.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -90.19 32.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.27 20.56 1.38 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.0 mmm -68.36 -35.09 77.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.85 68.97 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.761 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.1 -49.81 70.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.7 -44.42 63.15 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.8 -40.45 96.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.514 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.65 89.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.965 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -55.11 -47.97 74.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.562 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.27 -40.67 62.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.39 -42.55 65.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.029 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.68 -57.7 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 10.6 pt-20 -56.59 -48.59 77.07 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.196 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 p -52.49 -27.9 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.675 0.274 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.13 -56.01 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 112.071 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.05 -17.25 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 37.6 t60 -78.73 -16.26 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.608 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -59.2 158.27 9.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.18 140.86 55.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -67.82 -34.43 76.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.2 m-70 -67.96 -52.11 39.77 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.814 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.66 -51.8 67.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.06 -25.32 61.09 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.218 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 0.5 OUTLIER -58.73 -23.09 59.2 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.024 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -68.06 -16.93 64.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.353 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -95.4 46.55 1.11 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . 18.4 mtm180 -34.49 149.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.834 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -71.14 -36.72 5.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.1 -179.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 10.7 Cg_exo -66.38 21.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.011 1.807 . . . . 0.0 113.154 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 13' ' ' HIS . 24.1 tttt -170.17 70.42 0.6 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.041 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -87.57 102.11 0.5 Allowed 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.622 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -89.02 -76.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.56 172.03 11.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.142 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -52.05 -42.67 63.3 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 tt -60.62 -35.27 62.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.94 -43.58 95.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.89 -38.92 87.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.84 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.47 -47.77 84.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.06 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.445 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 13' ' ' HIS . 1.3 t-20 -53.75 -48.76 69.39 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.387 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.6 -50.43 72.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.412 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.52 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.31 -30.72 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.12 0.28 49.12 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.025 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.43 178.01 8.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.783 0.325 . . . . 0.0 110.686 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -173.15 24.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -139.04 -1.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 3.8 t80 -51.44 138.69 28.9 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.681 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 57.0 Cg_endo -73.49 61.86 4.39 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.605 2.203 . . . . 0.0 111.721 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.36 -25.1 48.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.742 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 t -97.07 33.0 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.2 t 179.2 98.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.0 107.88 18.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.909 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 43' ' ' ILE . 1.2 t0 -144.6 127.07 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.445 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -46.58 -47.82 19.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.414 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -62.97 -50.48 70.61 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.972 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.96 -47.94 84.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 39' ' ' ASP . 8.1 mm -65.87 -50.07 72.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.776 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -51.52 -45.07 62.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.8 p -63.84 -33.91 76.74 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 49' ' ' LEU . 46.4 t80 -59.35 -37.06 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.092 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.99 -48.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.152 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -22.47 66.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.65 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 46' ' ' TYR . 5.1 mt -65.68 -12.07 50.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -148.86 120.23 7.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.293 0.568 . . . . 0.0 110.922 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.32 8.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.091 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.77 -31.21 66.3 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.949 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -95.63 -22.64 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.43 -26.24 29.62 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -83.98 7.26 18.98 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 27.24 1.1 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.43 -38.58 81.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.235 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.69 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.954 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.6 m -73.61 -42.34 61.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.87 -50.72 65.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.35 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.81 -44.93 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.199 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.45 -40.23 92.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.125 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.79 88.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.064 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -54.83 -48.2 73.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -52.37 -40.45 62.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.341 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -70.95 -44.11 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -52.06 -55.93 17.57 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' HIS . 13.6 mm-40 -54.82 -50.59 68.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.9 t -51.59 -29.25 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -83.44 -56.01 3.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.73 13.16 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.995 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' GLU . 31.4 t60 -77.43 -19.09 56.58 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.293 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.864 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.687 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mmt . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -90.04 99.63 12.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.599 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.533 ' C ' ' O ' ' A' ' 2' ' ' LYS . 53.3 m 3.16 108.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.92 0.762 . . . . 0.0 112.365 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -47.07 -33.88 5.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -58.98 -45.5 90.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.6 m-70 -68.32 -39.03 82.12 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.19 -48.39 73.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.42 -32.78 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.347 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.0 mt -60.82 -23.0 64.75 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.55 -31.07 71.56 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ARG . 75.1 m-85 -89.95 10.6 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.242 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' TYR . 5.6 tpp180 25.19 -138.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.142 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.551 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 21.8 p-80 -161.79 56.67 0.7 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 95.5 Cg_endo -88.69 -94.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 123.212 2.608 . . . . 0.0 111.841 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -114.09 85.23 9.89 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.888 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.73 157.99 47.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.813 2.342 . . . . 0.0 113.11 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -151.66 -42.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.625 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -82.91 155.24 24.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.028 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.083 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 21' ' ' SER . 11.3 tt -62.96 -38.99 83.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.013 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 2.9 m -63.15 -49.04 75.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.79 -37.81 77.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.417 ' HB2' HG21 ' A' ' 59' ' ' THR . 78.2 t80 -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.64 -48.71 71.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.483 HD22 ' HB2' ' A' ' 13' ' ' HIS . 4.8 m120 -57.83 -48.31 80.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -62.99 -49.87 73.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -29.54 63.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -59.51 -32.53 70.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.15 -7.95 57.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -80.93 81.27 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 110.627 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -67.03 -1.33 4.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.079 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -98.87 -15.18 19.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.812 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.5 t80 -47.08 112.23 1.9 Allowed Pre-proline 0 CA--C 1.53 0.194 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.58 78.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.861 2.374 . . . . 0.0 112.682 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' PHE . 25.6 mtmm -60.81 -32.99 72.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 t -99.57 43.1 1.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.95 134.79 0.07 Allowed 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.5 107.3 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.307 0.575 . . . . 0.0 109.597 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -145.0 128.09 16.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.557 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.01 -54.18 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.586 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.31 -50.85 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.98 -51.78 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.57 -42.58 86.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.189 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -52.08 -41.47 62.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -63.41 -43.81 96.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.09 -38.82 84.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.243 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.14 -44.0 55.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.317 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -41.67 97.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.585 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.73 -36.88 84.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.6 113.12 5.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.924 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -25.82 62.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.7 -47.67 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.757 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -92.21 -6.1 51.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.562 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.5 tp -49.62 -39.69 36.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -96.48 44.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.938 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 m -143.69 1.86 1.19 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -38.24 55.22 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.21 88.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 23' ' ' PHE . 55.9 m -72.9 -45.76 56.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.04 -50.4 72.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.65 -48.99 68.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.413 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.79 -42.7 97.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.99 83.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.195 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -56.95 -46.84 81.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -52.32 -42.88 64.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.295 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.51 -43.39 66.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.344 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 71' ' ' VAL . 36.4 t80 -54.04 -58.13 8.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 72' ' ' HIS . 18.9 tt0 -55.5 -43.04 75.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -56.68 -29.76 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.325 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.86 -30.69 28.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.955 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.1 t -91.94 -16.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.0 110.152 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLU . 59.2 t60 -78.0 -7.42 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.608 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 tttp 68.06 104.81 0.05 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.125 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 136.11 57.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -55.34 -42.77 74.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.496 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.19 -41.34 99.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.47 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 21.9 m80 -66.32 -49.05 68.32 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.714 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.67 -52.37 65.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.31 -26.07 62.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.389 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.1 mt -60.05 -24.75 64.8 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.831 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -71.53 -18.16 62.28 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -95.79 46.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -41.86 160.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.835 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -69.48 -57.47 6.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.515 -178.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.577 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 82.8 Cg_exo -33.47 118.52 0.1 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 123.128 2.552 . . . . 0.0 113.491 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 68.26 57.01 0.7 Allowed Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.229 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 156.37 54.82 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.229 1.953 . . . . 0.0 110.881 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -149.15 -63.45 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.862 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.77 159.9 26.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 111.061 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -52.86 -44.25 66.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.479 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.6 tt -61.41 -35.44 66.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.804 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -64.34 -48.34 75.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.123 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.44 -38.4 77.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.29 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.35 -43.0 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.25 -44.99 76.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.15 -48.52 76.13 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.87 -49.87 68.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.06 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.49 -33.56 68.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.716 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 89.1 t80 -60.48 -27.47 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.099 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.78 -6.52 59.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.12 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.69 81.64 7.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.006 0.432 . . . . 0.0 110.167 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -10.1 15.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.984 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -97.0 -5.14 38.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -50.61 132.74 27.1 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.552 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.21 55.78 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.542 2.161 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.8 -24.91 38.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -98.53 32.35 2.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 104.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.15 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 38' ' ' THR . 4.7 t -105.18 108.35 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.991 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' H ' HD12 ' A' ' 43' ' ' ILE . 2.0 t0 -144.19 125.54 14.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.315 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 44' ' ' SER . 81.5 t80 -50.82 -51.54 50.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.759 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.38 -51.21 69.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 0.0 111.572 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.412 HD12 ' H ' ' A' ' 39' ' ' ASP . 16.2 mt -68.74 -40.27 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 27.7 t -51.84 -50.95 59.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.679 0.276 . . . . 0.0 110.753 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -63.35 -39.91 95.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.742 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.84 -45.49 92.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.25 -36.02 66.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.353 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.85 -48.84 75.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.156 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.72 -36.58 83.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -67.24 113.52 5.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.137 179.372 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 50' ' ' ASN . . . -68.22 -31.82 71.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.95 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.36 -33.95 77.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -94.43 -20.52 19.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 57' ' ' MET . 20.1 tp -55.36 -38.17 68.47 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -68.61 1.65 3.02 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.636 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -144.44 33.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.968 0.413 . . . . 0.0 110.785 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -62.18 -34.45 76.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.317 179.494 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.56 73.76 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.799 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 m -71.96 -38.63 69.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -63.39 -49.65 72.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.854 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -51.7 -45.86 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.936 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.35 -39.56 89.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.205 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.23 85.64 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.083 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -55.69 -47.1 77.35 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.049 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -52.42 -39.19 60.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.875 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.82 -47.05 64.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.766 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -51.59 -54.89 22.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.076 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' HIS . 47.5 mt-10 -55.4 -50.32 70.04 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -50.61 -27.44 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.196 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.36 -54.47 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.773 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.45 -16.68 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.5 t60 -76.82 -1.87 30.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.691 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 179.479 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.564 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -51.36 154.63 1.69 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.649 -179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -58.42 135.66 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.58 -38.6 69.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.18 -39.11 91.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -67.14 -52.23 44.16 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.2 -50.56 69.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.42 -28.88 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.948 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -23.47 61.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -68.96 -19.99 64.18 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.15 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' ARG . 31.6 m-85 -90.68 14.61 12.93 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.978 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' TYR . 49.3 mtm180 20.22 -136.83 0.0 OUTLIER 'General case' 0 C--N 1.341 0.209 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.59 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -162.21 41.82 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 73.8 Cg_endo -87.53 99.19 0.46 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.475 2.117 . . . . 0.0 111.952 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 46.02 85.3 0.17 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 120.71 0.29 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 161.39 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.705 2.27 . . . . 0.0 112.751 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -146.69 -43.9 0.19 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.99 152.96 26.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.238 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -53.67 -45.46 70.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.203 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 tt -64.98 -36.03 76.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 2.6 m -62.37 -46.49 88.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.54 -38.25 77.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.084 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.28 -41.11 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.672 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -48.47 75.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.153 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.571 HD22 ' HB2' ' A' ' 13' ' ' HIS . 4.6 m120 -56.47 -47.06 79.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -62.21 -50.75 70.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.59 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -29.32 64.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.55 -35.84 77.0 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.38 26.83 1.01 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 18.0 p-10 -78.2 -177.39 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.563 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 1.6 m80 -174.9 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.8 t -99.96 -14.4 18.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.277 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.448 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 58.6 t80 -49.47 139.02 15.29 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.413 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 44.1 Cg_endo -70.32 55.64 1.53 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -56.04 -25.13 43.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.618 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -95.6 40.59 1.11 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.25 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.33 118.38 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 38' ' ' THR . 5.0 t -107.68 107.19 17.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.214 0.53 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -146.13 120.93 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.582 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -56.71 -46.3 81.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.53 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -62.03 -52.62 63.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -62.89 -50.96 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.32 . . . . 0.0 111.441 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.693 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -52.62 -48.66 66.2 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -63.41 -36.0 82.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.423 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HA ' HD12 ' A' ' 49' ' ' LEU . 18.1 t80 -59.01 -40.29 84.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.7 -45.64 61.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.808 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.32 -26.0 68.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 46' ' ' TYR . 6.1 mt -65.87 -10.95 42.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.701 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.665 HD22 ' H ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -147.42 112.35 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.245 0.545 . . . . 0.0 110.655 -179.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.14 -23.89 2.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.834 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.665 ' H ' HD22 ' A' ' 50' ' ' ASN . 8.4 m-20 -57.63 -30.38 65.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.496 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.35 -23.0 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.539 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.1 tp -54.03 -39.92 66.6 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.92 10.19 1.26 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.027 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.26 3.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 57' ' ' MET . 10.7 tpp -52.51 -30.54 30.86 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.12 98.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.141 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -73.34 -39.86 64.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -57.8 -50.49 73.09 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -54.95 -48.17 73.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.997 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.49 -39.14 93.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.6 89.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.14 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -54.62 -49.13 71.23 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.332 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -52.49 -41.55 63.48 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.099 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.22 -45.01 64.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.934 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CZ ' HG21 ' A' ' 71' ' ' VAL . 42.5 t80 -52.82 -57.38 10.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.028 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 72' ' ' HIS . 22.9 mm-40 -54.19 -44.59 71.7 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -55.14 -30.49 59.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.585 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -31.15 26.36 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.066 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 t -92.48 -54.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 68' ' ' GLU . 10.0 t-80 -70.32 5.1 1.87 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.467 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.679 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 3' ' ' SER . 1.1 ptmm? -152.99 -10.27 0.16 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 9.4 t 101.13 127.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.817 0.698 . . . . 0.0 110.447 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.52 -44.9 81.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.51 -46.21 89.49 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 25.8 m-70 -66.64 -42.12 87.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -57.49 -47.59 81.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.08 -29.12 68.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.412 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 3.8 mt -59.32 -24.21 63.13 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.461 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -69.72 -22.22 63.41 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -95.42 46.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.673 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' NH2' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -32.5 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.519 -1.218 . . . . 0.0 112.399 -178.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.504 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.1 t60 -66.53 -46.28 58.34 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 54.8 Cg_exo -47.34 129.43 16.06 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.531 2.154 . . . . 0.0 113.146 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 53.32 61.48 10.86 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.989 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HG3' ' ND2' ' A' ' 25' ' ' ASN . 89.1 Cg_endo -80.73 -99.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.691 2.261 . . . . 0.0 111.729 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt 75.18 -22.25 0.27 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.429 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.82 142.11 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -53.85 -45.57 70.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 21' ' ' SER . 13.1 tt -65.63 -44.08 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.097 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 35.9 p -65.58 -37.8 87.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.381 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.31 -39.35 75.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -61.4 -44.71 96.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -58.71 -43.48 90.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.898 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 21' ' ' SER . 17.4 m120 -54.95 -47.49 74.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.329 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.4 -51.09 68.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.66 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.625 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.71 -26.45 68.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.49 1.25 49.64 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.5 -165.89 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -176.65 -29.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.239 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -93.9 -3.21 52.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.364 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 43.1 t80 -49.43 138.95 15.13 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.282 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 41.0 Cg_endo -68.32 57.39 0.93 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.724 2.282 . . . . 0.0 112.408 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -24.44 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' SER . 8.8 t -96.32 33.53 1.76 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' THR . 22.9 t 177.5 123.14 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.182 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 38' ' ' THR . 5.0 t -126.49 109.01 11.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.237 0.542 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.2 t0 -144.43 128.44 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.121 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -45.88 -47.06 16.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.204 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -63.03 -48.51 78.41 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.371 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.93 -50.85 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.29 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 39' ' ' ASP . 37.6 mm -63.85 -49.16 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -50.42 -41.04 51.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.55 -39.73 94.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.347 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 49' ' ' LEU . 44.8 t80 -59.86 -35.77 75.49 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 mt -74.83 -49.49 20.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.15 -23.49 67.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 46' ' ' TYR . 3.6 mt -65.78 -13.03 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -149.54 114.99 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -23.03 13.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.31 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -27.02 61.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -94.63 -22.88 17.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.609 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.92 -33.42 64.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.63 6.08 2.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -146.83 13.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.076 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.2 tpp -52.52 -39.7 61.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.22 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.32 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -72.42 -35.57 68.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.168 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -62.55 -49.81 73.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.917 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -53.98 -44.87 71.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.177 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.61 -45.23 91.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.25 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.62 89.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -55.02 -46.65 75.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.85 -38.49 61.54 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.89 -43.33 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.083 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -52.6 -57.83 8.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.516 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 11.4 pt-20 -56.11 -47.0 78.91 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 19.0 t -51.74 -28.0 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.297 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -82.86 -54.56 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.863 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.77 -14.25 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 34.7 t60 -75.72 3.07 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.641 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -66.73 169.39 7.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -58.66 123.01 14.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.71 -43.36 72.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.95 -43.47 86.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -67.13 -49.58 64.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -54.95 -53.35 56.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.94 -28.5 62.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.814 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.39 -32.28 72.21 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.934 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -75.85 -16.85 60.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.52 35.79 1.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.547 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 15.0 mtm180 -54.72 168.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 21' ' ' SER . 3.0 t60 -164.6 58.3 0.61 Allowed Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.441 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 82.2 Cg_exo -41.06 137.68 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.591 2.194 . . . . 0.0 110.359 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 27.8 mmtm 65.12 54.45 1.16 Allowed Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 45.0 Cg_exo -35.96 150.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 124.252 3.301 . . . . 0.0 114.377 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 18' ' ' ASP . 16.7 ptmt -152.28 -47.5 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.226 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 35.1 t70 -84.39 156.96 21.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.574 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 m -57.51 -45.84 84.48 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.765 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.77 -34.84 73.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.892 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 16' ' ' PRO . 1.2 t -61.51 -46.04 91.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.243 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.47 -43.34 97.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.859 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.16 -51.4 68.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.275 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.1 67.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.659 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -60.55 -35.34 75.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.52 -48.38 79.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.643 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.82 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -60.56 -47.87 84.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.22 6.02 44.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.625 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 58.4 m-20 -77.88 169.4 18.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 12.1 m-70 -171.54 31.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.292 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -145.88 67.92 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.812 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HE2' HG23 ' A' ' 43' ' ' ILE . 10.6 t80 -179.72 142.97 0.37 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.919 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 1.4 Cg_endo -45.33 83.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.434 2.756 . . . . 0.0 112.758 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' PHE . 19.6 mmtp -58.84 -25.56 63.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.531 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -132.1 68.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.6 143.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.704 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.92 108.77 5.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.146 0.498 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.86 112.59 6.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.174 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -47.83 -53.3 15.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.075 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -52.09 63.77 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.87 -50.65 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.695 0.283 . . . . 0.0 111.409 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' HE2' ' A' ' 33' ' ' PHE . 47.2 mt -66.49 -39.92 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -50.63 -49.47 56.77 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.746 0.307 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -63.71 -42.69 97.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.444 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.82 -48.19 82.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.47 -43.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.86 -44.46 93.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.292 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.82 -36.47 83.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.38 110.92 3.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.64 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.65 -47.69 77.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 56' ' ' THR . 1.8 m-85 -93.8 -7.28 43.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.12 -30.71 38.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -83.01 9.88 9.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.74 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 53' ' ' TYR . 10.2 t -145.87 33.48 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 84.5 mmm -61.95 -35.57 78.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.167 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.05 68.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -72.31 -39.29 68.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.7 -50.49 73.27 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -53.87 -47.51 70.96 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -66.09 -43.65 86.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.14 87.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.138 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -54.56 -45.57 73.52 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -52.54 -42.28 64.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.119 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -71.43 -43.44 66.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.415 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.548 ' O ' HG23 ' A' ' 71' ' ' VAL . 88.1 t80 -52.94 -57.98 8.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' HIS . 85.4 tt0 -54.4 -43.35 71.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.8 t -57.5 -29.73 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.92 -31.01 28.0 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.2 t -90.7 -16.99 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 0.0 109.767 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' GLU . 37.5 t60 -78.12 -5.95 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.481 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.823 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.6 pttm -150.58 97.01 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.748 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 2' ' ' LYS . 21.6 t 9.08 104.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.504 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -47.72 -33.15 6.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -63.02 -45.35 92.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.7 m-70 -68.39 -40.87 81.2 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.672 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -56.2 -48.77 75.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.845 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.3 mt -59.01 -24.94 63.24 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.992 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -72.87 -17.8 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.854 0.359 . . . . 0.0 110.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' C ' ' H ' ' A' ' 13' ' ' HIS . 33.5 m-85 -112.59 44.46 1.46 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 13' ' ' HIS . 41.1 mtp180 -58.26 -6.95 0.72 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.326 0.584 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 11' ' ' TYR . 20.4 m80 27.81 78.91 0.25 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.559 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.51 -2.1 5.7 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.211 1.941 . . . . 0.0 111.437 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -145.93 74.77 13.24 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.247 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -43.89 139.77 5.37 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 123.191 2.594 . . . . 0.0 112.915 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' H ' ' HB2' ' A' ' 21' ' ' SER . 47.9 mtmt -150.75 -60.04 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -83.14 163.23 20.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -53.63 -43.93 69.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.3 tt -66.49 -33.19 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.449 ' HB2' ' H ' ' A' ' 17' ' ' LYS . 9.5 m -64.39 -51.09 64.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.48 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 6.0 pt-20 -60.2 -38.55 83.63 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 110.211 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HB2' HG21 ' A' ' 59' ' ' THR . 48.8 t80 -63.18 -42.82 99.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.387 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.96 -50.15 67.15 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.259 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' OD1' ' HA ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -59.12 -40.9 86.83 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.267 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.0 -50.06 72.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.402 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.73 68.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -57.85 -30.34 65.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.557 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.26 -7.45 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -81.44 71.01 8.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.011 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.81 -13.04 40.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.817 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.4 p -96.73 -2.91 43.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.5 t80 -49.12 138.12 13.94 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.389 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 52.5 Cg_endo -69.4 68.15 1.5 Allowed 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.603 2.202 . . . . 0.0 112.057 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -57.88 -35.01 70.38 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -96.46 41.19 1.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 t 179.42 107.42 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.405 ' HA ' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -121.65 107.73 12.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.205 0.526 . . . . 0.0 110.068 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.42 127.59 16.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -48.09 -53.61 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.003 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -63.29 -51.29 66.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.72 -51.97 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.604 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 38' ' ' THR . 44.4 mt -68.13 -35.33 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.846 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -54.1 -50.42 66.89 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -63.98 -32.53 74.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.58 ' HA ' HD12 ' A' ' 49' ' ' LEU . 41.4 t80 -58.72 -35.87 73.37 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.221 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -50.14 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.89 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.13 -19.42 65.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.72 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 46' ' ' TYR . 1.5 mt -65.87 -11.76 49.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -147.73 125.12 11.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.71 -22.13 1.94 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.513 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 4.5 m-20 -56.67 -41.02 76.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.268 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.48 -18.37 20.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.782 0.325 . . . . 0.0 110.806 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.49 -36.86 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.54 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -78.53 5.32 11.12 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.0 t -144.53 31.46 1.2 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -38.66 87.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.025 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.11 -29.74 67.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.401 HG21 ' HB2' ' A' ' 23' ' ' PHE . 94.5 m -72.7 -45.45 58.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.47 -50.44 73.74 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -54.44 -42.99 71.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.135 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -66.19 -41.75 89.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.57 -46.72 89.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.897 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -55.13 -48.47 73.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -52.51 -39.0 60.8 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.169 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -72.86 -43.5 62.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.931 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -56.11 -59.16 5.32 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.761 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.642 ' O ' ' N ' ' A' ' 72' ' ' HIS . 2.0 pp20? -57.87 -37.86 74.69 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 121.03 0.443 . . . . 0.0 110.468 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 t -58.08 -33.61 69.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.13 -31.35 25.26 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.425 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.68 -55.03 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.269 0.556 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.642 ' N ' ' O ' ' A' ' 68' ' ' GLU . 9.9 t60 -70.67 -5.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -100.4 -49.43 1.43 Allowed Glycine 0 CA--C 1.519 0.329 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 18.2 ttp85 46.95 -153.12 0.07 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.617 0.246 . . . . 0.0 111.097 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.6 mm? -88.47 29.04 1.02 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.356 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -93.6 41.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.501 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -56.41 136.13 53.88 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -140.71 -61.18 0.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -55.47 -41.52 73.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -98.02 101.42 12.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -81.78 48.2 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.454 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -94.64 -11.25 29.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.403 179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 15.5 m 100.65 131.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 O-C-N 124.064 0.852 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' H ' ' HB ' ' A' ' 38' ' ' THR . 61.4 t80 -55.37 -38.12 68.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -67.81 -34.26 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 11.9 m170 -67.28 -44.58 78.94 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 110.451 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -57.7 -49.64 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.98 -27.16 65.13 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.473 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.9 mt -58.52 -22.76 56.29 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.085 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -65.67 -17.08 64.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 109.961 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 13' ' ' HIS . 24.5 m-85 -99.02 52.92 0.97 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.618 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 59.8 mtm180 -53.03 61.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.586 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.631 ' N ' ' O ' ' A' ' 11' ' ' TYR . 48.3 p-80 28.32 50.21 0.3 Allowed Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.37 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.618 ' HD3' ' C ' ' A' ' 12' ' ' ARG . 82.1 Cg_endo -79.7 -92.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.144 1.896 . . . . 0.0 112.2 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.42 93.89 17.38 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.81 0.338 . . . . 0.0 110.107 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.01 125.95 13.19 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.711 2.274 . . . . 0.0 112.621 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -151.9 -49.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.824 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.2 154.86 25.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.9 p -53.54 -44.94 69.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.152 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 21' ' ' SER . 4.4 tt -65.08 -42.21 93.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.774 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 44.9 m -64.91 -48.94 72.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.076 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.62 -37.47 75.95 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.919 0.39 . . . . 0.0 110.05 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 56' ' ' THR . 58.2 t80 -61.04 -41.42 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.647 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.24 -48.58 73.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.721 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 4.9 m120 -56.19 -48.37 76.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -62.09 -51.22 68.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.027 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.71 -35.37 68.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.9 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -83.94 26.87 0.69 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.71 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -160.46 87.31 0.76 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.013 0.435 . . . . 0.0 110.663 179.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.57 29.25 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.455 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.524 ' H ' ' C ' ' A' ' 30' ' ' ASP . 80.0 p -107.04 -12.87 15.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.576 0.226 . . . . 0.0 110.803 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CD2' ' HD2' ' A' ' 34' ' ' PRO . 1.6 t80 -47.55 141.14 7.29 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 47.7 Cg_endo -69.55 53.94 1.05 Allowed 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.74 2.293 . . . . 0.0 112.566 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -57.75 -24.3 56.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.76 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -94.15 27.59 2.8 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t 177.5 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.709 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.507 ' HB ' ' H ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.19 107.81 18.77 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.303 0.573 . . . . 0.0 110.675 -179.578 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.71 133.56 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.612 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -47.09 -48.09 22.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -64.05 -47.72 79.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.267 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.82 -51.38 69.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG21 ' CE1' ' A' ' 60' ' ' PHE . 1.5 mp -66.25 -41.72 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -51.52 -48.6 62.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.27 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.5 t -63.27 -37.43 87.21 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.78 -36.13 73.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.86 0.362 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.6 mt -73.72 -45.73 50.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -64.25 -30.02 71.09 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.265 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 -12.59 55.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.191 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -148.97 105.56 3.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.2 -24.46 42.02 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.153 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -61.29 -27.62 68.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.677 ' O ' HG22 ' A' ' 56' ' ' THR . 39.8 m-85 -94.9 -19.42 20.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.647 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 56' ' ' THR . 6.8 tp -51.35 -23.82 4.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.608 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.432 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 10.7 t-160 -72.58 23.64 0.06 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.152 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 53' ' ' TYR . 1.9 t -146.59 11.37 1.12 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.374 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -48.64 48.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.95 73.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.339 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.425 ' HB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 m -73.84 -42.45 60.83 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' ' 43' ' ' ILE . 6.3 t80 -57.18 -50.52 72.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.05 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.25 -48.38 71.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.037 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.96 -40.43 91.3 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.632 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.44 -46.82 88.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.267 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -54.32 -48.05 71.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.243 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -52.62 -41.08 63.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.072 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -70.45 -46.07 64.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.691 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -52.81 -54.7 30.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.04 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 39.6 mm-40 -54.45 -48.95 71.13 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.61 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 t -52.66 -27.76 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.169 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.81 -54.42 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.88 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.1 -16.51 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 58.0 t-80 -76.72 -15.94 59.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.232 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.59 -1.63 12.13 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -80.91 157.78 25.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.752 0.311 . . . . 0.0 110.491 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HA ' HD13 ' A' ' 75' ' ' LEU . 4.6 mm? -97.82 66.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.901 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.75 13.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.181 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 78' ' ' HIS . 86.6 t60 63.96 161.49 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.977 0.417 . . . . 0.0 110.978 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 1.2 p80 -159.42 146.84 17.09 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.769 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 157.54 37.98 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.4 m80 61.3 -170.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.032 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -170.14 -62.1 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.483 -179.726 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.88 158.29 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.733 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 6' ' ' HIS . 23.1 t -59.99 138.56 57.82 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.684 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -56.08 -42.53 76.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -58.89 -39.9 82.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 3.8 m-70 -67.5 -49.18 64.65 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.704 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.12 -47.89 74.39 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 8' ' ' LEU . 7.4 tp -58.49 -31.35 67.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.5 mt -61.21 -24.08 66.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.903 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -69.39 -17.61 63.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.239 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -98.11 49.08 1.0 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -37.07 152.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.449 -1.251 . . . . 0.0 112.016 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.559 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.1 -51.31 14.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.046 -179.664 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 13' ' ' HIS . 97.9 Cg_exo -38.37 112.95 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.713 2.275 . . . . 0.0 113.227 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt 62.28 67.87 1.15 Allowed Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.589 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -71.26 173.22 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.434 2.09 . . . . 0.0 110.889 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -77.26 0.16 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.48 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.03 163.58 24.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.94 0.4 . . . . 0.0 111.509 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -53.61 -41.02 66.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 21' ' ' SER . 10.0 tt -61.56 -38.43 80.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.003 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 7.4 m -64.09 -46.56 83.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.524 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.42 -39.49 79.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.382 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.03 -39.99 83.64 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -56.52 -45.07 81.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.27 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.522 HD22 ' CD2' ' A' ' 13' ' ' HIS . 3.7 m120 -56.6 -40.8 75.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.273 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.44 -51.38 63.39 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.39 -30.01 64.55 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -59.93 -29.45 68.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.52 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -85.07 0.29 52.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -79.14 -177.98 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.406 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -175.09 26.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -135.9 -18.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 35.2 t80 -48.78 136.32 13.45 Favored Pre-proline 0 C--N 1.334 -0.08 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.628 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 37.9 Cg_endo -67.71 64.39 0.87 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.716 2.277 . . . . 0.0 112.031 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.65 -24.4 33.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -95.75 33.99 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.962 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.9 t 179.96 152.16 0.45 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.922 0.391 . . . . 0.0 110.387 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 107.76 5.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.255 0.55 . . . . 0.0 109.891 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' H ' HD12 ' A' ' 43' ' ' ILE . 12.5 t70 -143.63 122.16 12.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.085 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -52.66 -54.15 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.951 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -61.59 -50.6 71.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.02 -51.26 70.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.665 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.407 HD12 ' H ' ' A' ' 39' ' ' ASP . 4.4 mt -68.07 -41.48 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.503 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.1 m -53.99 -42.24 68.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.091 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -64.04 -43.9 94.12 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.28 -46.15 89.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.51 -41.45 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.24 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -45.72 87.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.618 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.51 -36.65 84.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.01 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -67.75 122.55 18.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.084 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.28 -30.83 70.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -92.04 -8.87 44.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.217 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.2 tp -53.85 -29.15 39.86 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.688 0.28 . . . . 0.0 110.456 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -99.06 36.49 1.7 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.818 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 p -145.92 21.26 1.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.75 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 31.3 mmt -57.25 -34.06 68.23 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -46.06 85.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.125 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -72.59 -39.24 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.904 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -64.1 -50.14 69.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.5 -46.94 73.54 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.252 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.28 -44.08 84.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.73 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 -47.95 83.85 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.46 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -55.93 -45.32 78.81 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.063 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.32 -41.32 62.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.3 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -71.74 -45.06 62.94 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 71' ' ' VAL . 56.5 t80 -52.15 -56.87 11.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.868 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' HIS . 8.9 tp10 -55.25 -40.52 71.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.228 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -58.14 -30.32 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.228 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.39 -30.93 26.99 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.007 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.5 t -90.97 -14.69 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 121.243 0.544 . . . . 0.0 109.899 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' GLU . 75.0 t60 -74.42 -11.77 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.805 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.91 -8.96 83.32 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -81.96 139.04 34.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.741 0.305 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 75' ' ' LEU . 4.6 mm? -90.02 30.71 1.04 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.16 0.505 . . . . 0.0 110.101 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -152.31 55.82 0.82 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.072 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -70.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.801 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -97.64 169.79 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -66.1 -18.12 65.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.01 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -56.55 130.9 47.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.42 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -151.98 -18.85 0.18 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.628 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.3 t60 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.758 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.3 ptmt -89.1 106.95 18.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.522 ' C ' ' O ' ' A' ' 2' ' ' LYS . 30.6 m 7.83 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.954 0.783 . . . . 0.0 112.584 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -48.96 -32.17 8.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -65.77 -44.85 84.59 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.322 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.522 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.9 m-70 -67.47 -36.45 81.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.483 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.4 -48.5 76.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tp -60.35 -28.88 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.893 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 10.6 mt -58.53 -23.27 57.8 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.823 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -66.32 -21.01 66.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -97.16 44.95 1.04 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -34.96 147.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.573 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.553 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -67.15 -41.43 34.49 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.648 -179.115 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 79.8 Cg_exo -44.73 100.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.355 2.037 . . . . 0.0 112.576 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 tttm 71.17 76.28 0.23 Allowed Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.601 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.43 123.28 6.98 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.499 2.133 . . . . 0.0 111.22 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -91.61 -80.28 0.35 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -80.48 169.45 17.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.169 0.509 . . . . 0.0 111.817 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -53.92 -40.13 66.45 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.968 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 21' ' ' SER . 15.5 tt -59.85 -41.32 85.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.2 p -64.47 -41.06 96.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.023 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.33 -41.43 84.58 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.974 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.55 -39.03 86.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -54.21 -46.74 72.55 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -56.56 -48.91 76.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.917 0.389 . . . . 0.0 110.244 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -63.52 -44.33 94.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.07 -41.82 93.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.395 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -87.22 37.86 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.389 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.57 157.48 27.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.777 0.322 . . . . 0.0 110.404 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -62.46 -77.34 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m -146.24 49.13 1.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 33' ' ' PHE . 22.6 t80 -46.18 137.66 6.4 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.171 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 35.2 Cg_endo -66.02 72.37 0.36 Allowed 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.701 2.268 . . . . 0.0 112.39 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -57.62 -27.7 63.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.567 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.5 p -99.86 41.79 1.14 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.929 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.21 135.29 0.09 Allowed 'General case' 0 CA--C 1.522 -0.121 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.27 108.87 7.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.211 0.529 . . . . 0.0 110.086 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -143.38 126.49 16.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -52.87 -49.74 65.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.314 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.82 -52.16 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.71 -39.5 80.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.695 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -53.24 -48.58 68.08 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.425 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.7 m -63.03 -38.52 91.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.457 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.41 -47.66 84.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.88 -40.6 72.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.494 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.81 -41.43 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.216 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 45' ' ' SER . 7.3 mt -65.47 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.124 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -66.49 123.16 19.27 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.74 -0.466 . . . . 0.0 109.74 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.49 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.086 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -93.96 -9.36 37.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.057 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.18 -44.56 61.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -90.19 32.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.27 20.56 1.38 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.515 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 72.0 mmm -68.36 -35.09 77.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.85 68.97 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.761 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.5 m -72.21 -41.12 67.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.454 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.1 -49.81 70.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -51.7 -44.42 63.15 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.369 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.8 -40.45 96.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.514 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.65 89.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.965 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -55.11 -47.97 74.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.562 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.27 -40.67 62.04 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.415 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.39 -42.55 65.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.029 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.68 -57.7 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 10.6 pt-20 -56.59 -48.59 77.07 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.196 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.4 p -52.49 -27.9 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.675 0.274 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -83.13 -56.01 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.418 . . . . 0.0 112.071 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.05 -17.25 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 37.6 t60 -78.73 -16.26 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.608 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.39 -12.51 84.21 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -81.73 170.51 15.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.732 0.301 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 75' ' ' LEU . 4.4 mm? -81.93 48.75 1.26 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.059 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.49 44.67 1.01 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.594 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -50.49 102.6 0.04 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.214 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m170 58.44 -174.06 0.09 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.575 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -176.63 1.49 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.822 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -158.14 77.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.2 t60 65.33 112.67 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.184 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -59.2 158.27 9.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.465 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.18 140.86 55.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.514 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.662 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -67.82 -34.43 76.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.2 m-70 -67.96 -52.11 39.77 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.814 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.66 -51.8 67.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.06 -25.32 61.09 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.218 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 0.5 OUTLIER -58.73 -23.09 59.2 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.024 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -68.06 -16.93 64.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.353 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -95.4 46.55 1.11 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . 18.4 mtm180 -34.49 149.98 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.834 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.606 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -71.14 -36.72 5.16 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.1 -179.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 10.7 Cg_exo -66.38 21.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.011 1.807 . . . . 0.0 113.154 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 13' ' ' HIS . 24.1 tttt -170.17 70.42 0.6 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.041 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -87.57 102.11 0.5 Allowed 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.622 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -89.02 -76.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.08 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.56 172.03 11.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.142 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -52.05 -42.67 63.3 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 tt -60.62 -35.27 62.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.94 -43.58 95.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.89 -38.92 87.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.84 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.47 -47.77 84.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.06 66.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.445 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 13' ' ' HIS . 1.3 t-20 -53.75 -48.76 69.39 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.387 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.6 -50.43 72.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.412 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.52 66.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.31 -30.72 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -84.12 0.28 49.12 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.025 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -79.43 178.01 8.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.783 0.325 . . . . 0.0 110.686 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -173.15 24.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.476 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -139.04 -1.7 1.74 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 3.8 t80 -51.44 138.69 28.9 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.681 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 57.0 Cg_endo -73.49 61.86 4.39 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.605 2.203 . . . . 0.0 111.721 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -56.36 -25.1 48.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.742 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.8 t -97.07 33.0 2.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.2 t 179.2 98.52 0.02 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.388 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.0 107.88 18.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.909 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 43' ' ' ILE . 1.2 t0 -144.6 127.07 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.445 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -46.58 -47.82 19.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.414 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -62.97 -50.48 70.61 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.972 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.96 -47.94 84.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 39' ' ' ASP . 8.1 mm -65.87 -50.07 72.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.776 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -51.52 -45.07 62.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.54 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.8 p -63.84 -33.91 76.74 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 49' ' ' LEU . 46.4 t80 -59.35 -37.06 76.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.092 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.99 -48.72 22.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.152 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -22.47 66.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.65 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 46' ' ' TYR . 5.1 mt -65.68 -12.07 50.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.627 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -148.86 120.23 7.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.293 0.568 . . . . 0.0 110.922 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.32 8.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.091 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -57.77 -31.21 66.3 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.949 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -95.63 -22.64 17.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.357 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.9 tp -54.43 -26.24 29.62 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -83.98 7.26 18.98 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 27.24 1.1 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.43 -38.58 81.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.235 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.69 70.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.954 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.6 m -73.61 -42.34 61.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -64.87 -50.72 65.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.35 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -53.81 -44.93 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.199 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.45 -40.23 92.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.125 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.79 88.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.064 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -54.83 -48.2 73.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -52.37 -40.45 62.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.341 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -70.95 -44.11 66.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.099 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -52.06 -55.93 17.57 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.137 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' HIS . 13.6 mm-40 -54.82 -50.59 68.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.9 t -51.59 -29.25 16.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -83.44 -56.01 3.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.73 13.16 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.995 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' GLU . 31.4 t60 -77.43 -19.09 56.58 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.293 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.28 -14.68 79.96 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.519 ' C ' HD22 ' A' ' 75' ' ' LEU . 9.9 mtm180 37.76 -152.94 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.087 0.47 . . . . 0.0 112.228 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD22 ' C ' ' A' ' 74' ' ' ARG . 4.6 mm? -107.49 52.46 0.71 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -87.09 48.17 1.61 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.703 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -70.26 169.97 12.66 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.58 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -104.75 -68.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -49.4 133.44 19.96 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.136 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -78.97 171.3 15.4 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -71.2 134.45 46.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.319 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.702 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mmt . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.533 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -90.04 99.63 12.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.599 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.533 ' C ' ' O ' ' A' ' 2' ' ' LYS . 53.3 m 3.16 108.12 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.92 0.762 . . . . 0.0 112.365 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -47.07 -33.88 5.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -58.98 -45.5 90.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.6 m-70 -68.32 -39.03 82.12 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -55.19 -48.39 73.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -58.42 -32.78 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.347 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.0 mt -60.82 -23.0 64.75 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.242 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -66.55 -31.07 71.56 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ARG . 75.1 m-85 -89.95 10.6 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.242 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' TYR . 5.6 tpp180 25.19 -138.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.142 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.551 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 21.8 p-80 -161.79 56.67 0.7 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 110.535 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.551 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 95.5 Cg_endo -88.69 -94.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 123.212 2.608 . . . . 0.0 111.841 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -114.09 85.23 9.89 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.888 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.73 157.99 47.45 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.813 2.342 . . . . 0.0 113.11 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -151.66 -42.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.625 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -82.91 155.24 24.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.028 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.083 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 21' ' ' SER . 11.3 tt -62.96 -38.99 83.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.013 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 2.9 m -63.15 -49.04 75.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.784 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.79 -37.81 77.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.417 ' HB2' HG21 ' A' ' 59' ' ' THR . 78.2 t80 -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.64 -48.71 71.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.483 HD22 ' HB2' ' A' ' 13' ' ' HIS . 4.8 m120 -57.83 -48.31 80.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -62.99 -49.87 73.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -29.54 63.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.994 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -59.51 -32.53 70.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -87.15 -7.95 57.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -80.93 81.27 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 110.627 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -67.03 -1.33 4.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.079 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 m -98.87 -15.18 19.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.812 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 35' ' ' LYS . 3.5 t80 -47.08 112.23 1.9 Allowed Pre-proline 0 CA--C 1.53 0.194 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.58 78.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.861 2.374 . . . . 0.0 112.682 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' PHE . 25.6 mtmm -60.81 -32.99 72.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 t -99.57 43.1 1.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.95 134.79 0.07 Allowed 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.5 107.3 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.307 0.575 . . . . 0.0 109.597 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -145.0 128.09 16.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.557 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -59.01 -54.18 49.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.586 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.31 -50.85 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.98 -51.78 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.57 -42.58 86.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.189 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -52.08 -41.47 62.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -63.41 -43.81 96.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.09 -38.82 84.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.243 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.14 -44.0 55.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.317 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.01 -41.67 97.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.585 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.73 -36.88 84.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.6 113.12 5.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.924 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -25.82 62.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.7 -47.67 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.757 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -92.21 -6.1 51.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.562 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.5 tp -49.62 -39.69 36.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -96.48 44.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.938 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.5 m -143.69 1.86 1.19 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.636 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -38.24 55.22 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.484 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.21 88.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.638 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 23' ' ' PHE . 55.9 m -72.9 -45.76 56.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.04 -50.4 72.85 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.349 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.65 -48.99 68.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.413 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.79 -42.7 97.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.54 -47.99 83.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.195 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -56.95 -46.84 81.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.395 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -52.32 -42.88 64.21 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.295 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.51 -43.39 66.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.344 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 71' ' ' VAL . 36.4 t80 -54.04 -58.13 8.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 72' ' ' HIS . 18.9 tt0 -55.5 -43.04 75.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.617 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -56.68 -29.76 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.325 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.86 -30.69 28.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.955 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.1 t -91.94 -16.95 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.074 0.464 . . . . 0.0 110.152 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 68' ' ' GLU . 59.2 t60 -78.0 -7.42 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.608 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.28 -44.18 51.93 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -82.14 149.48 27.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.749 0.309 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.513 ' N ' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -105.07 24.27 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.192 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 70.94 -49.05 0.67 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.937 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -88.8 160.3 17.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.58 24.14 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.642 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 69.04 117.19 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -103.55 -93.32 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.443 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -159.92 -43.36 0.05 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.535 179.678 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 tttp 68.06 104.81 0.05 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.125 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 136.11 57.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -55.34 -42.77 74.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.496 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.19 -41.34 99.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.47 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 21.9 m80 -66.32 -49.05 68.32 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.714 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.67 -52.37 65.18 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -58.31 -26.07 62.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.389 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 1.1 mt -60.05 -24.75 64.8 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.831 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -71.53 -18.16 62.28 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.036 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -95.79 46.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -41.86 160.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.835 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.577 ' CD2' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -69.48 -57.47 6.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.515 -178.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.577 ' HD3' ' CD2' ' A' ' 13' ' ' HIS . 82.8 Cg_exo -33.47 118.52 0.1 Allowed 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 123.128 2.552 . . . . 0.0 113.491 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 68.26 57.01 0.7 Allowed Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.229 178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 156.37 54.82 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.229 1.953 . . . . 0.0 110.881 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -149.15 -63.45 0.23 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.862 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.77 159.9 26.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 111.061 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -52.86 -44.25 66.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.479 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.6 tt -61.41 -35.44 66.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.804 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t -64.34 -48.34 75.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.123 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.44 -38.4 77.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.29 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.35 -43.0 96.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.25 -44.99 76.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.15 -48.52 76.13 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.87 -49.87 68.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.06 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.49 -33.56 68.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.716 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 89.1 t80 -60.48 -27.47 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.099 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.78 -6.52 59.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.12 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -81.69 81.64 7.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.006 0.432 . . . . 0.0 110.167 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -10.1 15.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.984 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -97.0 -5.14 38.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -50.61 132.74 27.1 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.552 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.21 55.78 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.542 2.161 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.8 -24.91 38.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -98.53 32.35 2.57 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.007 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.49 104.79 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.15 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 38' ' ' THR . 4.7 t -105.18 108.35 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.274 0.559 . . . . 0.0 109.991 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' H ' HD12 ' A' ' 43' ' ' ILE . 2.0 t0 -144.19 125.54 14.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.315 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 44' ' ' SER . 81.5 t80 -50.82 -51.54 50.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.759 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -61.38 -51.21 69.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 0.0 111.572 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.412 HD12 ' H ' ' A' ' 39' ' ' ASP . 16.2 mt -68.74 -40.27 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 27.7 t -51.84 -50.95 59.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.679 0.276 . . . . 0.0 110.753 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -63.35 -39.91 95.84 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.742 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.84 -45.49 92.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.25 -36.02 66.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.353 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.85 -48.84 75.14 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.156 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.72 -36.58 83.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.409 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -67.24 113.52 5.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.137 179.372 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 50' ' ' ASN . . . -68.22 -31.82 71.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.95 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.36 -33.95 77.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -94.43 -20.52 19.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 57' ' ' MET . 20.1 tp -55.36 -38.17 68.47 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -68.61 1.65 3.02 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.636 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -144.44 33.21 1.18 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.968 0.413 . . . . 0.0 110.785 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -62.18 -34.45 76.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.317 179.494 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -34.56 73.76 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.799 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.3 m -71.96 -38.63 69.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -63.39 -49.65 72.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.854 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -51.7 -45.86 63.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.936 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.35 -39.56 89.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.205 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.04 -47.23 85.64 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.083 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -55.69 -47.1 77.35 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.049 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -52.42 -39.19 60.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.875 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.82 -47.05 64.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.766 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -51.59 -54.89 22.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.076 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' HIS . 47.5 mt-10 -55.4 -50.32 70.04 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.7 m -50.61 -27.44 6.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.196 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.36 -54.47 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.773 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.2 t -87.45 -16.68 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.5 t60 -76.82 -1.87 30.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.691 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.48 -18.07 61.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -82.42 -130.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.421 . . . . 0.0 110.903 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 75' ' ' LEU . 4.3 mm? 62.32 33.01 16.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.746 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.92 27.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.208 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' 75' ' ' LEU . 12.1 p80 -143.47 158.03 43.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.541 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -161.14 115.48 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -80.44 155.35 27.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.661 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 62.24 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.5 -178.94 5.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.657 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.61 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.564 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -51.36 154.63 1.69 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.649 -179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -58.42 135.66 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.58 -38.6 69.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.203 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -62.18 -39.11 91.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -67.14 -52.23 44.16 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.2 -50.56 69.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.42 -28.88 63.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.948 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -23.47 61.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -68.96 -19.99 64.18 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.625 -0.262 . . . . 0.0 111.15 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 12' ' ' ARG . 31.6 m-85 -90.68 14.61 12.93 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.978 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' TYR . 49.3 mtm180 20.22 -136.83 0.0 OUTLIER 'General case' 0 C--N 1.341 0.209 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.59 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 0.3 OUTLIER -162.21 41.82 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.624 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 73.8 Cg_endo -87.53 99.19 0.46 Allowed 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.475 2.117 . . . . 0.0 111.952 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 46.02 85.3 0.17 Allowed Pre-proline 0 N--CA 1.467 0.381 0 CA-C-O 120.71 0.29 . . . . 0.0 110.604 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 161.39 45.06 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 122.705 2.27 . . . . 0.0 112.751 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -146.69 -43.9 0.19 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.847 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.99 152.96 26.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.238 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -53.67 -45.46 70.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.203 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 tt -64.98 -36.03 76.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 2.6 m -62.37 -46.49 88.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.298 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.54 -38.25 77.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.084 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -60.28 -41.11 92.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.672 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -48.47 75.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.153 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.571 HD22 ' HB2' ' A' ' 13' ' ' HIS . 4.6 m120 -56.47 -47.06 79.99 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -62.21 -50.75 70.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.59 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -29.32 64.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.55 -35.84 77.0 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.38 26.83 1.01 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.04 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 18.0 p-10 -78.2 -177.39 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.563 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 1.6 m80 -174.9 -41.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.8 t -99.96 -14.4 18.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.277 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.448 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 58.6 t80 -49.47 139.02 15.29 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.413 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 44.1 Cg_endo -70.32 55.64 1.53 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -56.04 -25.13 43.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.618 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.1 t -95.6 40.59 1.11 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.25 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.33 118.38 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 38' ' ' THR . 5.0 t -107.68 107.19 17.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.214 0.53 . . . . 0.0 110.007 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -146.13 120.93 9.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.582 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -56.71 -46.3 81.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.53 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -62.03 -52.62 63.21 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -62.89 -50.96 68.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.32 . . . . 0.0 111.441 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.693 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 t -52.62 -48.66 66.2 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.5 p -63.41 -36.0 82.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.423 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HA ' HD12 ' A' ' 49' ' ' LEU . 18.1 t80 -59.01 -40.29 84.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.7 -45.64 61.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.808 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -64.32 -26.0 68.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 46' ' ' TYR . 6.1 mt -65.87 -10.95 42.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.701 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.665 HD22 ' H ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -147.42 112.35 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.245 0.545 . . . . 0.0 110.655 -179.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.14 -23.89 2.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.834 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.665 ' H ' HD22 ' A' ' 50' ' ' ASN . 8.4 m-20 -57.63 -30.38 65.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.496 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.35 -23.0 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.539 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.1 tp -54.03 -39.92 66.6 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.651 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.92 10.19 1.26 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.027 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -140.26 3.26 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 57' ' ' MET . 10.7 tpp -52.51 -30.54 30.86 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.12 98.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.141 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.8 m -73.34 -39.86 64.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -57.8 -50.49 73.09 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -54.95 -48.17 73.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.997 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.49 -39.14 93.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.674 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.6 89.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.35 . . . . 0.0 110.14 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -54.62 -49.13 71.23 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.332 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -52.49 -41.55 63.48 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.099 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.22 -45.01 64.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.934 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CZ ' HG21 ' A' ' 71' ' ' VAL . 42.5 t80 -52.82 -57.38 10.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.028 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.649 ' O ' ' N ' ' A' ' 72' ' ' HIS . 22.9 mm-40 -54.19 -44.59 71.7 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.695 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -55.14 -30.49 59.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.585 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.64 -31.15 26.36 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.066 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.424 HG21 ' CZ ' ' A' ' 67' ' ' TYR . 3.0 t -92.48 -54.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 68' ' ' GLU . 10.0 t-80 -70.32 5.1 1.87 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.467 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.62 -0.73 2.12 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 72' ' ' HIS . 10.6 ptt-85 -79.3 163.97 24.48 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.884 0.373 . . . . 0.0 110.544 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.26 29.16 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.942 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -150.99 58.07 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.148 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -56.48 137.18 53.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.848 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -144.34 158.2 43.87 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.627 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -90.23 -81.06 0.31 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 88.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.607 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -138.22 4.55 2.46 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.774 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 3' ' ' SER . 1.1 ptmm? -152.99 -10.27 0.16 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 9.4 t 101.13 127.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.817 0.698 . . . . 0.0 110.447 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.52 -44.9 81.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.804 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.51 -46.21 89.49 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 25.8 m-70 -66.64 -42.12 87.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.362 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -57.49 -47.59 81.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.08 -29.12 68.36 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.412 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 3.8 mt -59.32 -24.21 63.13 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.461 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -69.72 -22.22 63.41 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -95.42 46.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.673 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' NH2' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -32.5 150.95 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.519 -1.218 . . . . 0.0 112.399 -178.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.504 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.1 t60 -66.53 -46.28 58.34 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 13' ' ' HIS . 54.8 Cg_exo -47.34 129.43 16.06 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.531 2.154 . . . . 0.0 113.146 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 53.32 61.48 10.86 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.989 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HG3' ' ND2' ' A' ' 25' ' ' ASN . 89.1 Cg_endo -80.73 -99.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.691 2.261 . . . . 0.0 111.729 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt 75.18 -22.25 0.27 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.429 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.82 142.11 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -53.85 -45.57 70.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 21' ' ' SER . 13.1 tt -65.63 -44.08 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.097 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 35.9 p -65.58 -37.8 87.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.381 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.31 -39.35 75.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -61.4 -44.71 96.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 21' ' ' SER . . . -58.71 -43.48 90.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.898 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 21' ' ' SER . 17.4 m120 -54.95 -47.49 74.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.329 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.4 -51.09 68.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.23 -31.66 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.625 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.71 -26.45 68.05 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.272 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.49 1.25 49.64 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.5 -165.89 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.94 0.4 . . . . 0.0 110.413 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -176.65 -29.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.239 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -93.9 -3.21 52.12 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.364 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 43.1 t80 -49.43 138.95 15.13 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.282 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 33' ' ' PHE . 41.0 Cg_endo -68.32 57.39 0.93 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.724 2.282 . . . . 0.0 112.408 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -24.44 50.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' SER . 8.8 t -96.32 33.53 1.76 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' THR . 22.9 t 177.5 123.14 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.182 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 38' ' ' THR . 5.0 t -126.49 109.01 11.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.237 0.542 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.2 t0 -144.43 128.44 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.121 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -45.88 -47.06 16.19 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.204 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -63.03 -48.51 78.41 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.371 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.93 -50.85 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.29 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 39' ' ' ASP . 37.6 mm -63.85 -49.16 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 t -50.42 -41.04 51.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.55 -39.73 94.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.347 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 49' ' ' LEU . 44.8 t80 -59.86 -35.77 75.49 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 mt -74.83 -49.49 20.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.15 -23.49 67.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.544 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 46' ' ' TYR . 3.6 mt -65.78 -13.03 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.744 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -149.54 114.99 5.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -23.03 13.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.31 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -27.02 61.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.887 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -94.63 -22.88 17.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.609 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.92 -33.42 64.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.63 6.08 2.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 t -146.83 13.65 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.971 0.415 . . . . 0.0 110.076 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.2 tpp -52.52 -39.7 61.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.22 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.32 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.657 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 m -72.42 -35.57 68.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.168 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -62.55 -49.81 73.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.917 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -53.98 -44.87 71.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.177 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.61 -45.23 91.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.25 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.62 89.29 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -55.02 -46.65 75.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.186 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.85 -38.49 61.54 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -72.89 -43.33 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.083 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -52.6 -57.83 8.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.516 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 72' ' ' HIS . 11.4 pt-20 -56.11 -47.0 78.91 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 19.0 t -51.74 -28.0 13.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.297 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -82.86 -54.56 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.863 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.77 -14.25 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 34.7 t60 -75.72 3.07 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.0 -21.01 68.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -83.23 -133.67 0.04 OUTLIER 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.045 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 77' ' ' HIS . 4.5 mm? 60.27 38.42 19.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.88 23.82 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.581 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 75' ' ' LEU . 4.7 p-80 -140.36 10.26 2.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.876 0.369 . . . . 0.0 110.553 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.447 ' N ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -69.59 152.65 44.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.83 179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 p80 -155.88 150.07 25.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.466 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 61.3 163.5 0.07 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -80.04 66.34 5.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.194 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.4 t60 . . . . . 0 C--O 1.222 -0.346 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.487 -179.78 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -66.73 169.39 7.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.649 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -58.66 123.01 14.9 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.71 -43.36 72.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.697 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -57.95 -43.47 86.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -67.13 -49.58 64.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -54.95 -53.35 56.79 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 tp -56.94 -28.5 62.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.814 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -61.39 -32.28 72.21 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.934 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -75.85 -16.85 60.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.52 35.79 1.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.547 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 15.0 mtm180 -54.72 168.17 0.3 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 21' ' ' SER . 3.0 t60 -164.6 58.3 0.61 Allowed Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.441 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 13' ' ' HIS . 82.2 Cg_exo -41.06 137.68 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.591 2.194 . . . . 0.0 110.359 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 27.8 mmtm 65.12 54.45 1.16 Allowed Pre-proline 0 CA--C 1.531 0.237 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 45.0 Cg_exo -35.96 150.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 124.252 3.301 . . . . 0.0 114.377 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 18' ' ' ASP . 16.7 ptmt -152.28 -47.5 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.226 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CG ' ' A' ' 17' ' ' LYS . 35.1 t70 -84.39 156.96 21.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.574 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 m -57.51 -45.84 84.48 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.765 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.77 -34.84 73.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.892 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 16' ' ' PRO . 1.2 t -61.51 -46.04 91.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.243 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -60.47 -43.34 97.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.859 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -62.16 -51.4 68.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.275 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.1 67.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.659 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -60.55 -35.34 75.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.96 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.52 -48.38 79.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.643 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.06 -25.82 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -60.56 -47.87 84.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.166 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -90.22 6.02 44.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.625 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' HIS . 58.4 m-20 -77.88 169.4 18.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 0.0 110.874 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 12.1 m-70 -171.54 31.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.292 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -145.88 67.92 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.812 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HE2' HG23 ' A' ' 43' ' ' ILE . 10.6 t80 -179.72 142.97 0.37 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.919 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HD2' ' CD2' ' A' ' 33' ' ' PHE . 1.4 Cg_endo -45.33 83.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.434 2.756 . . . . 0.0 112.758 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' PHE . 19.6 mmtp -58.84 -25.56 63.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.531 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 t -132.1 68.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.6 143.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.704 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.92 108.77 5.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.146 0.498 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -143.86 112.59 6.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.174 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -47.83 -53.3 15.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.075 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -52.09 63.77 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.87 -50.65 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.695 0.283 . . . . 0.0 111.409 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' HE2' ' A' ' 33' ' ' PHE . 47.2 mt -66.49 -39.92 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -50.63 -49.47 56.77 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.746 0.307 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 t -63.71 -42.69 97.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.444 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.82 -48.19 82.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.47 -43.4 97.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.299 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.86 -44.46 93.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.292 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.82 -36.47 83.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.38 110.92 3.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.32 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.64 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.65 -47.69 77.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' HG22 ' A' ' 56' ' ' THR . 1.8 m-85 -93.8 -7.28 43.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.7 tp -53.12 -30.71 38.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.988 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -83.01 9.88 9.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.74 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 53' ' ' TYR . 10.2 t -145.87 33.48 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 84.5 mmm -61.95 -35.57 78.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.167 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.05 68.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -72.31 -39.29 68.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.7 -50.49 73.27 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -53.87 -47.51 70.96 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -66.09 -43.65 86.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.417 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.14 87.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.138 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -54.56 -45.57 73.52 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.007 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -52.54 -42.28 64.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.119 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -71.43 -43.44 66.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.415 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.548 ' O ' HG23 ' A' ' 71' ' ' VAL . 88.1 t80 -52.94 -57.98 8.47 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' HIS . 85.4 tt0 -54.4 -43.35 71.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.8 t -57.5 -29.73 64.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.551 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.92 -31.01 28.0 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.915 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 67' ' ' TYR . 2.2 t -90.7 -16.99 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.175 0.512 . . . . 0.0 109.767 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 68' ' ' GLU . 37.5 t60 -78.12 -5.95 53.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.481 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -96.87 -48.34 2.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -81.13 145.18 31.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.919 0.39 . . . . 0.0 110.68 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' HA ' HD13 ' A' ' 75' ' ' LEU . 4.2 mm? -108.45 29.5 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -84.93 48.47 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -122.67 29.99 6.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.115 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.27 54.57 0.79 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.666 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 41.16 66.64 0.63 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.045 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -77.56 -156.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -50.03 127.64 17.06 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.361 179.814 . . . . . . . . 0 0 . 1 stop_ save_