data_2edd_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 2edd _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 ' 19' ' ' MET . . . . . . . . . . . . . 91.6 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.11 105.37 6.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.79 18.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.311 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.06 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -144.94 -178.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.58 39.19 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.26 114.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -113.58 146.3 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . . . -120.29 101.48 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.2 t -94.5 136.28 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.57 114.74 27.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 36' ' ' ARG . 5.5 mt -81.99 -53.47 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 34' ' ' ALA . 1.7 t -144.99 176.31 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -46.64 -41.72 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -117.77 40.71 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' HG21 ' A' ' 31' ' ' THR . . . -152.55 131.28 12.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -143.56 113.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 28' ' ' VAL . 8.4 tpp85 -86.76 107.64 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.6 t -94.61 105.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 p -111.73 142.01 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.479 ' CE2' HG13 ' A' ' 95' ' ' VAL . 47.7 p90 -142.32 -178.7 5.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.62 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tp -133.77 134.09 42.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -100.8 125.29 47.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.448 HG21 ' N ' ' A' ' 58' ' ' VAL . 9.0 m -107.65 149.31 28.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.448 ' N ' HG21 ' A' ' 57' ' ' THR . 11.0 t -128.82 127.03 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 7.3 ptp180 -126.13 147.84 49.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.487 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 46.5 p90 -157.82 145.2 18.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -149.55 154.98 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.57 119.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.836 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 61' ' ' ARG . 6.3 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.954 0.406 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 10.2 tttp -88.43 167.58 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.5 p -156.79 127.89 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -132.32 152.17 51.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -105.8 127.23 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 t -146.33 127.37 14.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.4 p -85.63 24.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.4 m -126.74 170.77 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 38.7 mt -95.9 23.92 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 p -156.88 129.9 7.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -128.44 144.67 51.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -105.16 111.14 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.91 101.58 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.3 p -103.7 155.41 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.87 50.99 8.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -110.23 -175.49 2.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 19.8 ttpt -100.52 134.67 20.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 148.86 66.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.09 27.37 11.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 m -132.31 137.07 47.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.459 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 62.0 ttp -109.28 152.2 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.11 173.32 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' CD ' HG21 ' A' ' 109' ' ' THR . 2.4 tt0 -101.93 125.39 48.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.564 ' CD2' HG21 ' A' ' 37' ' ' VAL . 12.8 m-85 -111.61 147.93 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.15 149.27 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.479 HG13 ' CE2' ' A' ' 39' ' ' TRP . 47.4 t -121.25 152.06 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.576 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 18.1 ptm -149.24 -175.05 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.0 p -146.01 150.13 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.4 m -128.22 94.71 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 36.9 ttmt -120.93 152.39 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.8 t30 71.3 32.29 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 62.25 25.65 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -144.33 156.86 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -105.85 145.12 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.5 p -101.87 -175.62 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.5 t -81.33 159.68 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.576 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.1 m95 -80.38 154.74 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.5 t -90.52 177.21 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.6 ptm -44.26 141.35 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 3.2 m -82.68 153.57 25.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.98 127.84 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -93.94 144.14 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 27' ' ' ALA . . . -168.64 109.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -83.88 152.44 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -90.91 156.8 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -73.36 148.05 43.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.63 121.96 14.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 72.1 mmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.857 0.36 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.07 118.81 59.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.733 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.91 29.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.1 Cg_endo -69.73 177.98 5.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.1 -175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 30.92 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.3 105.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -112.44 159.1 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -128.84 99.76 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' ARG . 10.7 t -87.59 134.21 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.1 112.03 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.5 mt -82.64 -56.46 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.465 HG21 ' CB ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -148.94 176.53 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -42.57 -53.94 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -108.17 43.86 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' CB ' HG21 ' A' ' 31' ' ' THR . . . -155.79 133.19 10.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -146.73 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.6 tpp180 -89.14 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.97 112.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.7 p -122.11 134.84 54.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.495 ' CE2' HG13 ' A' ' 95' ' ' VAL . 27.0 p90 -127.29 179.25 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.12 161.92 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 56' ' ' TYR . 3.1 tp -101.93 149.07 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.459 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.0 m-85 -114.74 137.29 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -116.53 151.64 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.12 117.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.639 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 6.3 ptm180 -111.9 148.64 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.456 ' CZ2' ' CD ' ' A' ' 71' ' ' LYS . 48.4 p90 -153.89 126.84 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.575 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 7.0 tmm_? -133.86 139.6 46.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.431 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 3.1 p -43.16 132.71 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 10.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.914 0.388 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' CD ' ' CZ2' ' A' ' 60' ' ' TRP . 13.4 ttmt -107.49 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -160.87 152.52 19.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -151.41 147.16 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.414 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 1.1 p-10 -101.45 124.4 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -137.56 135.6 36.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -89.0 36.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -146.44 164.86 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 60.9 mt -87.51 32.18 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 p -162.64 144.04 10.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -144.05 144.31 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -104.47 113.03 26.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.52 97.72 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -97.44 158.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.37 54.29 11.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.92 -174.89 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -97.68 132.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.79 155.89 64.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.6 p30 47.62 36.49 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m -140.59 141.25 35.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.449 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 48.7 ttp -115.48 149.76 37.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -137.06 179.86 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.472 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 2.6 pt-20 -107.08 125.56 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' THR . 10.0 m-85 -112.87 159.19 19.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.415 ' C ' HG22 ' A' ' 95' ' ' VAL . 1.1 m -153.36 175.73 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.495 HG13 ' CE2' ' A' ' 39' ' ' TRP . 64.1 t -147.27 137.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 23.5 ptm -140.09 -174.99 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 54' ' ' ARG . 13.2 p -148.43 144.14 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -119.74 96.11 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -125.14 148.43 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 21.4 t30 70.76 47.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 4.4 ptm180 48.46 31.17 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -148.11 149.56 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -95.97 151.16 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 105' ' ' THR . 28.3 t -100.64 -179.51 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.401 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.3 t -89.85 163.02 15.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.601 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 54.4 m95 -85.91 134.25 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' MET . 17.4 t -82.2 170.36 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . 5.6 ptm -35.79 129.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 110' ' ' ALA . 6.4 m -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 109' ' ' THR . . . -102.19 148.7 25.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -106.4 153.78 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.423 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -174.6 112.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 m -84.75 151.32 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -94.41 154.34 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.49 144.59 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -58.02 134.5 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.467 ' CB ' ' HB2' ' A' ' 104' ' ' SER . 76.4 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' C ' HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -117.44 105.07 49.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 170.09 17.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.73 177.85 5.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.62 -178.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.64 42.19 13.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.05 117.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.53 125.62 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -103.28 98.56 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.96 137.3 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.44 109.62 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.19 -54.89 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 t -149.18 176.56 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -47.38 -42.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -115.5 45.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.85 138.9 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 t -152.94 114.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -93.28 97.17 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.529 HG22 ' CD2' ' A' ' 93' ' ' PHE . 59.1 t -84.18 109.91 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -111.2 138.9 47.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.502 ' CE2' HG12 ' A' ' 95' ' ' VAL . 45.0 p90 -136.77 173.44 11.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.24 167.81 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -150.82 144.23 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.474 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 6.9 m-85 -116.6 122.68 45.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.424 ' C ' HG21 ' A' ' 58' ' ' VAL . 25.3 m -101.77 155.96 17.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG21 ' C ' ' A' ' 57' ' ' THR . 45.2 t -139.93 123.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -115.25 157.99 22.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 41.0 p90 -167.5 144.98 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.573 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -162.33 154.72 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p -40.64 126.23 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 6.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 43.6 tttt -77.61 161.23 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 m -161.48 142.54 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.4 147.69 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.81 118.05 35.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -134.7 134.47 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.1 p -89.74 31.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 p -128.28 171.92 11.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -95.12 22.67 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 82.4 p -161.34 142.13 11.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -132.56 140.48 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -104.82 107.84 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.75 99.16 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.9 p -100.38 155.44 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.09 52.83 8.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.46 -178.78 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -87.2 128.93 53.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.9 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.73 46.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.409 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 2.2 t-20 60.44 35.07 20.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.9 m -139.4 134.27 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.419 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 24.3 ttp -104.23 151.08 23.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.6 OUTLIER -137.76 179.16 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.456 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 0.9 OUTLIER -100.91 125.3 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.529 ' CD2' HG22 ' A' ' 37' ' ' VAL . 46.6 m-85 -116.48 144.76 43.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -153.77 170.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 39' ' ' TRP . 43.3 t -142.55 150.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.475 ' N ' HG13 ' A' ' 95' ' ' VAL . 4.6 ppp? -146.16 -176.03 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 98' ' ' THR . 9.3 p -142.99 140.75 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.446 ' N ' HG21 ' A' ' 97' ' ' VAL . 38.4 m -119.05 94.91 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -126.04 142.99 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 3.8 t-20 74.96 47.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 3.8 ptm180 46.68 36.02 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -151.99 144.82 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.3 p -95.47 141.72 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 12.2 t -95.37 -179.0 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 104' ' ' SER . 8.2 t -87.67 152.35 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -72.16 146.6 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -84.35 -174.85 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 19.1 ptm -47.5 140.05 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.456 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 51.9 m -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.01 123.33 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -92.87 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . . . -163.86 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -81.05 142.01 33.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -81.28 158.53 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.7 153.64 38.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.409 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 13.2 tt0 -70.41 116.77 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.3 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.94 114.77 11.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 160.78 48.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.73 169.87 17.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -131.69 179.64 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.36 45.99 16.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -70.5 118.62 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' NE2' HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -121.96 137.93 54.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.78 101.11 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 36' ' ' ARG . 99.2 t -92.43 141.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.9 115.3 30.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -81.85 -53.47 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 34' ' ' ALA . 1.4 t -146.61 176.1 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.438 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 37.1 p-80 -44.94 -45.63 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.438 ' OD1' ' NE2' ' A' ' 32' ' ' HIS . 19.8 p-10 -115.23 41.24 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 31' ' ' THR . . . -152.32 130.76 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -142.11 119.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' VAL . 13.5 tpp180 -93.82 105.78 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.544 HG22 ' CD2' ' A' ' 93' ' ' PHE . 44.7 t -100.81 112.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -125.59 132.98 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.512 ' CE2' HG12 ' A' ' 95' ' ' VAL . 14.1 p90 -120.86 -174.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.98 146.81 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.84 0.353 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -104.64 143.15 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -118.2 131.79 56.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 58' ' ' VAL . 22.5 m -111.05 153.06 26.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.171 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' N ' HG23 ' A' ' 57' ' ' THR . 19.9 t -132.44 114.41 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 7.7 ptm180 -109.54 150.51 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.506 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 43.2 p90 -159.57 145.32 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -157.8 147.3 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 2.9 p -33.85 127.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 5.7 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.506 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 39.1 tttt -77.04 166.39 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.04 142.51 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -145.55 132.61 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -87.85 139.63 30.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -151.3 140.12 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -92.81 31.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 167.92 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 HD23 ' NE1' ' A' ' 39' ' ' TRP . 24.0 mt -93.44 25.64 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -153.92 133.03 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -131.93 150.22 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.7 m -115.77 97.74 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.17 105.05 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 p -105.35 159.02 16.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.92 48.57 20.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -107.06 -175.07 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 22.5 ttmt -96.82 133.92 23.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.407 ' CB ' ' HB1' ' A' ' 117' ' ' ALA . 53.2 Cg_endo -69.85 150.53 67.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.74 27.1 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.8 m -133.22 132.04 41.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 14.3 tmm? -104.62 152.42 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.471 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -136.83 -174.14 3.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 92.1 mt-10 -100.07 144.75 28.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.544 ' CD2' HG22 ' A' ' 37' ' ' VAL . 72.9 m-85 -134.02 135.86 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.418 ' C ' HG21 ' A' ' 95' ' ' VAL . 1.2 t -143.94 -177.83 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.512 HG12 ' CE2' ' A' ' 39' ' ' TRP . 58.6 t -154.97 144.87 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -147.11 172.68 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.1 p -137.85 141.56 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.8 m -119.45 95.87 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -126.0 144.52 50.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 6.2 t-20 74.29 47.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 21.7 ptt180 47.84 30.99 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -148.65 146.09 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 p -103.91 141.89 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -93.85 -174.95 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.9 t -88.68 158.51 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 55.4 m95 -80.66 138.84 36.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' MET . 41.2 t -77.71 170.01 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' SER . 3.3 ptm -34.74 151.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.3 m -96.23 135.48 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 127.28 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.456 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 5.6 m-70 -93.2 135.99 33.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.89 119.01 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -87.47 154.32 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 p -94.9 160.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -71.31 155.38 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.58 117.8 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.6 mmm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.24 115.42 13.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 169.41 18.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.97 8.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.04 -178.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.72 41.84 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -72.86 125.02 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -133.32 132.66 41.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . . . -103.15 104.5 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 3.3 t -91.31 130.02 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.57 109.57 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.2 mt -81.07 -53.29 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -148.34 176.02 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -46.07 -46.78 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -113.91 41.95 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -154.37 134.9 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 t -148.03 118.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' VAL . 6.8 tpt180 -93.21 96.06 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.561 HG23 ' CD2' ' A' ' 93' ' ' PHE . 57.8 t -88.1 111.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.68 152.56 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.468 ' CE2' HG11 ' A' ' 95' ' ' VAL . 33.4 p90 -143.79 -179.52 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.18 157.99 20.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -129.06 144.3 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.51 139.15 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 m -121.29 157.52 30.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.0 t -136.53 123.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 70' ' ' TYR . 6.9 ptm180 -114.56 149.78 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 33.7 p90 -168.27 142.13 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 70' ' ' TYR . 7.0 ptt85 -159.58 157.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.439 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 7.1 p -36.56 134.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 59' ' ' ARG . 4.0 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.994 0.426 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.557 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 28.2 tttt -89.57 165.67 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 p -157.63 126.42 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.508 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 7.4 tm-20 -130.34 130.88 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.88 123.36 32.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -143.28 143.31 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -101.16 23.52 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -121.03 163.88 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 17.0 mt -89.32 10.47 22.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -148.27 133.86 18.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.508 ' CE1' ' HG3' ' A' ' 73' ' ' GLU . 81.0 t80 -128.7 149.2 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -115.39 101.87 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.14 100.43 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -96.94 150.01 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.88 52.97 6.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 mt -107.4 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.356 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 21.6 tttp -92.65 130.41 37.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.51 38.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 59.32 35.96 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -139.48 124.1 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -95.61 150.88 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.45 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -136.9 174.76 10.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 1.1 tt0 -103.1 125.05 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CD2' HG23 ' A' ' 37' ' ' VAL . 44.5 m-85 -114.74 146.47 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -153.52 145.18 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG11 ' CE2' ' A' ' 39' ' ' TRP . 11.3 t -114.58 155.27 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -151.29 -175.02 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.3 143.13 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.6 m -124.58 95.54 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -123.94 160.98 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 64.99 31.91 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 62.81 25.6 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 2.6 ptm85 -143.79 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 p -106.62 144.31 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.6 p -101.78 -178.88 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 t -76.92 169.81 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 84.4 m95 -88.62 161.24 17.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.2 p -98.67 179.87 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.8 ptm -47.23 129.52 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 49.2 m -71.22 157.58 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.433 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -130.04 116.42 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.99 133.63 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 27' ' ' ALA . . . -153.23 111.98 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.3 m -83.23 151.23 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.8 p -92.89 161.04 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -77.61 146.51 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.61 110.5 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.412 ' HE3' ' CG1' ' A' ' 97' ' ' VAL . 28.2 mmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' C ' HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -104.81 105.51 51.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.674 0.749 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 169.93 17.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.73 2.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.6 -176.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.76 37.87 7.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.6 110.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -116.89 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.02 101.06 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -90.31 132.82 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.15 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.55 -54.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 34' ' ' ALA . 2.9 t -147.06 176.44 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -50.06 -36.64 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -120.51 42.43 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 31' ' ' THR . . . -157.02 139.98 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 t -153.36 119.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -93.8 104.52 16.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 93' ' ' PHE . 31.5 t -98.62 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.9 m -118.86 132.05 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 21.4 p90 -121.56 -175.72 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.47 147.95 46.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 74' ' ' ASP . 5.0 tp -148.83 149.99 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.417 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -120.66 118.41 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.472 HG21 ' N ' ' A' ' 58' ' ' VAL . 27.4 m -99.94 149.66 23.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' N ' HG21 ' A' ' 57' ' ' THR . 14.5 t -131.78 126.04 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -121.1 152.63 38.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 46.1 p90 -165.43 132.27 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.599 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 11.0 tpt180 -165.02 158.06 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.501 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.5 p -31.43 135.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.599 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 4.1 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.941 0.401 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -86.41 165.66 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 p -160.68 123.11 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.6 145.93 49.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.464 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 4.1 p30 -102.13 116.36 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -137.6 149.83 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.5 p -102.55 6.57 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -104.63 166.02 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.0 mt -96.32 29.2 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -157.93 129.84 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -136.98 140.5 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 m -104.46 119.88 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.52 97.27 10.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.1 p -97.62 156.12 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.97 52.03 9.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -109.75 -176.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.5 ttpt -97.28 130.76 28.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.444 ' CB ' ' HB1' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.77 144.52 54.24 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 61.6 25.62 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.2 m -131.72 128.38 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.416 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 36.1 ttp -100.48 152.43 20.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -137.06 174.74 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -101.19 125.4 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 37' ' ' VAL . 56.8 m-85 -112.23 137.78 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.97 146.93 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.498 HG22 ' CD2' ' A' ' 39' ' ' TRP . 47.1 t -117.4 145.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -140.81 168.7 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.412 ' CG1' ' HE3' ' A' ' 19' ' ' MET . 5.5 p -128.86 140.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -124.23 96.33 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -125.76 161.79 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.03 31.81 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 62.4 32.08 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -150.78 151.74 32.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 p -101.28 143.37 31.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.41 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 59.5 p -97.41 -174.72 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 t -84.72 159.25 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -81.6 139.0 35.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.0 t -79.54 176.97 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 16.8 ptm -41.81 146.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 m -97.48 147.72 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.34 122.74 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -89.44 135.42 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.18 107.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -79.61 144.32 33.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.3 p -82.51 146.85 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -63.47 151.93 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -67.24 115.57 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 82.3 mmm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -133.99 115.07 13.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.442 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 -178.87 2.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.9 m -144.64 -177.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.79 44.41 17.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 t -74.12 109.63 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -113.14 134.69 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.45 101.61 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' ARG . 20.7 t -90.09 134.63 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.72 108.89 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.39 -53.99 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.72 176.14 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -44.79 -46.61 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -114.21 41.26 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' CB ' HG23 ' A' ' 31' ' ' THR . . . -152.35 132.99 13.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 t -145.29 115.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.3 tpp180 -86.25 100.0 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 93' ' ' PHE . 86.0 t -90.97 109.05 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.05 153.04 35.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.485 ' CE2' ' HA ' ' A' ' 78' ' ' LEU . 36.5 p90 -146.78 -177.69 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.96 170.67 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.0 p-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tp -134.46 135.88 42.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.12 134.02 44.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 m -112.03 141.6 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.68 118.17 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.605 ' NH2' ' CD1' ' A' ' 106' ' ' TRP . 19.5 ptt180 -122.38 148.91 44.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.453 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.1 p90 -149.56 130.29 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.617 ' HE ' ' N ' ' A' ' 70' ' ' TYR . 5.8 tpp85 -130.62 143.56 50.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -47.95 135.08 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.617 ' N ' ' HE ' ' A' ' 61' ' ' ARG . 11.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.94 0.4 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 34.2 tttt -78.63 154.53 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.7 p -147.42 132.24 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -142.16 139.79 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.89 134.32 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -149.96 128.72 12.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.8 p -93.59 36.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . 27.8 m -140.06 169.0 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.5 mt -94.49 24.91 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -157.74 131.24 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -131.82 151.06 51.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -113.08 102.76 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.61 99.12 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 p -102.12 154.4 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.8 48.25 10.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.85 -174.72 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -97.37 134.12 23.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 156.48 63.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.4 p30 45.08 37.79 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.6 m -143.09 126.06 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.401 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 12.2 tmm? -101.93 152.58 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.4 OUTLIER -138.26 -179.89 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.77 125.98 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 37' ' ' VAL . 57.2 m-85 -115.04 150.76 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -153.52 -178.53 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 96' ' ' MET . 64.9 t -152.43 145.44 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.461 ' N ' HG12 ' A' ' 95' ' ' VAL . 5.5 ppp? -149.43 -176.2 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 98' ' ' THR . 2.3 p -144.84 144.27 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 97' ' ' VAL . 86.3 m -115.49 97.97 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.57 154.09 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.4 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 49.5 m-20 63.54 40.55 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 54.57 28.62 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.46 145.59 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.45 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 17.2 p -94.03 137.13 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 105' ' ' THR . 11.1 t -87.91 179.3 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.447 ' N ' ' OG ' ' A' ' 104' ' ' SER . 11.7 t -79.57 172.68 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.605 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 76.0 m95 -95.64 145.24 25.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.4 p -81.18 -176.53 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.5 ptm -51.17 145.04 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.6 m -82.3 137.48 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.38 122.82 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -92.15 141.35 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.67 114.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 m -86.05 148.6 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.8 p -87.47 164.63 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -72.61 149.3 44.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.01 108.49 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.455 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 13.5 mtp . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.47 115.06 21.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 160.77 48.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -176.81 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.95 -175.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.32 29.04 6.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HB ' ' SD ' ' A' ' 108' ' ' MET . 2.5 t -60.62 111.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.311 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.98 123.07 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 97.56 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.9 t -92.61 136.03 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.23 112.9 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -78.63 -52.42 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.424 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.54 175.97 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -44.75 -47.34 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -113.17 42.18 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -154.11 132.93 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -144.97 117.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tpp85 -90.11 111.62 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -99.06 106.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -116.21 133.57 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 37.5 p90 -129.49 173.49 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.99 151.17 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 14.4 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 tp -131.0 142.45 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.54 128.55 55.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 58' ' ' VAL . 5.7 m -109.15 150.53 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' THR . 34.5 t -132.59 124.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.562 ' HG2' ' CH2' ' A' ' 106' ' ' TRP . 0.2 OUTLIER -132.04 144.89 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 24.0 p90 -148.83 139.51 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.529 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 7.5 tmm_? -136.23 139.52 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.424 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 4.7 p -36.16 137.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.407 ' N ' ' HA ' ' A' ' 91' ' ' TYR . 37.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.529 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 9.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -84.67 169.96 13.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -161.38 138.94 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -145.26 151.32 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -103.79 127.14 51.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -144.37 130.86 19.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 p -90.79 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -135.72 164.59 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 18.7 mt -90.25 30.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -161.9 130.48 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -133.82 140.87 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.9 m -101.37 108.73 20.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.01 103.46 10.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -104.0 150.26 24.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.77 49.15 5.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mt -107.88 177.02 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttmm -92.22 133.13 30.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.83 63.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.457 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 1.8 t-20 53.98 27.88 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -132.27 132.43 43.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.7 ttp -106.57 150.98 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -138.77 -174.27 3.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 27.1 mt-10 -100.19 140.02 35.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -129.99 143.14 50.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -154.01 -178.64 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 96' ' ' MET . 97.5 t -151.6 150.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.555 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 12.7 ptm -150.39 173.07 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.05 133.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.5 m -107.2 94.15 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -121.58 154.93 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 8.5 m-80 64.32 46.98 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 8.3 ptp180 47.45 35.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.7 ptm85 -153.64 154.5 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.92 138.76 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 17.4 p -92.28 -174.4 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -87.41 161.49 17.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 59' ' ' ARG . 79.5 m95 -83.8 136.31 34.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -66.65 -174.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.401 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -51.89 153.19 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.1 m -87.98 132.21 34.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.57 123.96 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -97.2 134.49 40.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.57 112.49 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -82.55 149.85 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 p -90.77 161.87 15.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -75.23 145.02 42.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.457 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 16.2 tt0 -63.05 111.5 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.468 ' CE ' HG22 ' A' ' 97' ' ' VAL . 53.6 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.04 112.94 2.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -178.69 2.44 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -143.68 -177.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.48 34.09 18.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.0 t -63.83 108.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.09 136.94 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.19 101.47 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.2 t -93.46 133.38 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.16 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.8 -51.75 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 34' ' ' ALA . 1.4 t -148.72 174.76 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -44.81 -44.75 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 9.0 m-20 -115.01 41.09 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG21 ' A' ' 31' ' ' THR . . . -153.7 132.79 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.11 113.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' VAL . 9.4 tpp85 -85.9 107.88 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 93' ' ' PHE . 43.5 t -94.84 109.3 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -118.87 137.53 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 34.6 p90 -133.83 -175.54 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.82 161.27 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 10.9 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 56' ' ' TYR . 2.3 tp -115.02 146.92 40.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.427 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -109.39 127.48 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -108.41 150.44 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.17 125.32 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -128.21 155.25 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.555 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 48.5 p90 -160.1 131.62 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -134.89 145.36 48.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -38.07 139.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.83 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.996 0.427 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.555 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 7.5 ttmm -72.82 157.14 38.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -155.8 126.65 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -129.29 157.2 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -110.05 131.0 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -150.35 144.66 25.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 p -97.33 4.85 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -101.95 173.24 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 80.4 mt -100.72 19.52 16.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -151.57 128.72 11.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -129.44 139.5 51.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.6 m -101.58 113.33 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.77 101.99 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -102.08 158.66 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.9 55.43 7.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 1.2 mt -114.93 -176.81 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -99.15 136.83 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.8 65.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.19 39.68 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m -142.95 128.24 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.413 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 13.7 tmm? -103.88 152.96 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -138.67 -179.38 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 5.4 tt0 -102.27 125.77 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.511 ' CD2' HG21 ' A' ' 37' ' ' VAL . 21.0 m-85 -116.71 141.92 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -151.58 166.36 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 96' ' ' MET . 42.1 t -137.61 154.57 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.59 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 20.9 ptm -151.95 -175.0 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG22 ' CE ' ' A' ' 19' ' ' MET . 1.3 p -143.02 138.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 93.0 m -119.6 94.09 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' CD ' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -126.41 152.18 46.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.434 ' HB2' ' CD ' ' A' ' 99' ' ' LYS . 33.0 t-20 74.29 31.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 63.03 28.08 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -146.82 154.12 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 94.9 p -106.01 133.64 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.436 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 1.3 t -89.78 175.19 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 104' ' ' SER . 15.0 t -75.87 169.24 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.59 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 84.1 m95 -88.25 158.24 18.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t -97.61 176.07 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.3 ptm -40.08 131.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.454 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 19.4 m -78.81 154.34 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.26 124.39 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.57 129.06 39.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.96 114.91 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -86.69 146.91 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.8 p -88.24 154.01 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -71.62 151.49 43.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -68.43 111.67 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.2 mmm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -118.78 123.94 28.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.44 27.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -144.09 -176.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.49 45.92 5.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.75 102.93 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.79 148.53 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . . . -118.76 100.47 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 22.3 t -92.59 134.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.79 113.96 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 81' ' ' THR . 13.1 mt -85.19 -52.35 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.1 t -149.1 172.15 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -40.96 -48.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -113.35 43.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -155.33 126.05 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -138.24 111.58 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.7 tpp180 -81.99 112.19 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.01 107.03 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.2 p -109.88 141.6 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.484 ' CE2' HG13 ' A' ' 95' ' ' VAL . 46.1 p90 -142.12 177.41 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.88 167.95 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tp -128.48 135.29 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.64 127.01 53.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.418 ' C ' HG23 ' A' ' 58' ' ' VAL . 25.6 m -102.13 156.74 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 57' ' ' THR . 16.1 t -141.59 123.52 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.0 ptt85 -129.97 159.35 36.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.492 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 32.5 p90 -159.71 141.66 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 2.2 ttt180 -139.08 143.54 38.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -42.8 126.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.838 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.576 ' CE1' ' HD2' ' A' ' 61' ' ' ARG . 13.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.932 0.396 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -96.58 154.99 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -145.83 140.8 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -147.14 136.08 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -87.94 139.31 30.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -153.1 128.61 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.9 p -94.04 39.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.1 m -143.63 170.14 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.452 HD23 ' NE1' ' A' ' 39' ' ' TRP . 24.8 mt -94.88 25.27 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -160.99 124.12 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -124.68 151.1 45.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 30' ' ' LEU . 35.0 m -112.99 99.09 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.43 104.18 4.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.8 p -105.8 158.52 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.52 43.93 11.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.99 -179.92 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -95.07 134.09 25.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.477 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.71 153.99 68.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 12.1 p30 51.8 30.52 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 m -135.82 139.56 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.445 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 62.3 ttp -114.54 153.22 30.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -144.55 -178.34 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.4 OUTLIER -106.54 141.59 37.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 72.0 m-85 -128.75 137.55 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -140.45 145.27 36.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG13 ' CE2' ' A' ' 39' ' ' TRP . 24.8 t -118.14 152.01 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.447 ' N ' HG11 ' A' ' 95' ' ' VAL . 4.9 ppp? -148.89 -175.09 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 p -144.25 148.65 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.8 m -126.94 98.95 5.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -126.44 157.83 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 64.01 40.25 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 55.8 28.19 11.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.6 ptm85 -145.16 153.91 41.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -98.67 148.16 24.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 105' ' ' THR . 13.9 t -96.4 -179.7 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.1 t -86.92 160.17 18.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -83.35 136.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 t -80.42 179.26 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.7 ptm -48.16 123.33 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 92' ' ' GLU . 29.6 m -72.12 144.65 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.51 160.76 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -122.43 150.27 42.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . . . -167.46 119.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -88.99 147.74 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.6 p -92.3 150.07 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -61.08 152.16 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -71.16 110.72 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 104' ' ' SER . 14.4 mtp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -142.08 106.68 5.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.73 161.02 47.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -154.1 -179.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.89 51.72 23.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.09 119.72 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -120.86 130.8 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . . . -107.71 100.9 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' ARG . 43.3 t -94.28 140.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.72 114.11 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.13 -52.03 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 34' ' ' ALA . 2.5 t -147.92 176.43 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -49.13 -34.65 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -123.05 41.17 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 31' ' ' THR . . . -154.54 139.0 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -147.89 115.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.9 tpp180 -88.97 109.92 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG23 ' CD2' ' A' ' 93' ' ' PHE . 59.8 t -101.28 111.95 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.18 153.75 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.805 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -147.77 -175.15 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.21 137.01 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 tp -120.29 143.35 48.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.78 129.88 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -113.2 150.83 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 72' ' ' SER . 26.9 t -134.32 128.68 52.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 31.7 ptt85 -121.42 151.63 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.557 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 41.5 p90 -154.88 125.96 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.572 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -134.98 142.12 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.474 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 5.9 p -39.25 135.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -101.9 145.22 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . 1.2 t -162.48 153.99 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' CD ' ' OH ' ' A' ' 80' ' ' TYR . 5.2 pt-20 -151.67 171.74 17.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -87.68 145.54 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.4 t -154.93 109.24 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.7 p -79.85 41.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -142.26 153.26 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.46 18.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.6 p -153.43 119.78 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.405 ' OH ' ' CD ' ' A' ' 73' ' ' GLU . 54.7 t80 -110.15 151.57 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.3 m -123.95 101.32 7.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.91 100.68 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -104.23 146.97 28.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 44.15 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -105.63 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -94.33 137.84 22.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.459 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 53.5 Cg_endo -69.82 161.1 47.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.286 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 87' ' ' PRO . 3.1 p-10 43.47 35.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 m -137.86 138.83 39.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.443 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 62.6 ttp -113.9 149.29 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -135.74 -179.65 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' A' ' 109' ' ' THR . 3.0 pt-20 -111.23 125.42 53.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.7 m-85 -112.1 154.36 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -153.4 170.33 20.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.5 t -139.36 154.74 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 25.1 ptm -154.04 -176.3 5.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.84 142.37 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.5 m -120.85 94.93 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -126.47 150.24 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 72.87 37.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 58.56 25.18 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.03 149.77 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -101.3 136.85 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.521 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 16.4 t -88.01 -178.15 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.5 t -88.9 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.601 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 56.2 m95 -79.85 138.64 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' MET . 64.6 p -77.85 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.827 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' SER . 7.9 ptm -35.94 121.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 92' ' ' GLU . 9.8 m -73.8 128.5 35.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.97 163.0 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -123.39 157.15 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . . . -172.93 117.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.422 ' CB ' ' HB2' ' A' ' 90' ' ' MET . 1.2 m -90.0 148.24 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -93.13 149.34 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -61.5 136.29 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.72 123.36 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.433 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 12.7 mtp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.57 111.58 6.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -177.79 2.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 m -150.52 -175.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.39 31.14 34.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HB ' ' SD ' ' A' ' 108' ' ' MET . 2.9 t -66.63 116.04 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -117.48 125.42 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 100.87 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.55 134.84 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.18 114.81 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -84.89 -51.73 6.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.444 HG21 ' N ' ' A' ' 34' ' ' ALA . 2.2 t -148.65 176.15 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 17.5 p-80 -49.19 -38.1 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.564 ' OD2' ' CD2' ' A' ' 32' ' ' HIS . 2.5 p30 -119.25 41.95 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' N ' HG21 ' A' ' 31' ' ' THR . . . -153.74 148.17 26.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 t -159.72 114.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -87.2 103.74 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.404 HG21 ' CD2' ' A' ' 93' ' ' PHE . 43.8 t -92.51 110.65 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.0 p -120.92 138.15 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.517 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 44.7 p90 -131.93 -178.56 4.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.32 149.5 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.585 ' N ' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.5 tp -138.75 136.18 35.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -108.74 126.12 52.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.7 m -110.63 147.81 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -132.31 112.56 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' LYS . 5.1 ptp180 -112.3 152.34 28.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -151.51 130.92 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.573 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.6 tmm_? -136.36 140.12 43.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 p -39.16 140.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 4.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.948 0.404 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 6.7 tttp -100.56 148.99 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.8 p -161.43 161.23 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -143.58 151.97 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.66 124.06 37.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.7 t -138.31 147.75 43.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.6 p -101.4 21.04 14.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 p -119.06 178.33 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 96.5 mt -101.92 15.38 29.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.7 p -150.67 138.26 19.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -138.1 141.6 40.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.4 m -102.34 114.86 29.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.98 99.13 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.1 p -102.13 153.34 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 50.17 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.64 165.13 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -75.18 132.86 75.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.78 156.35 63.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 12.6 p30 46.51 40.37 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.5 m -143.57 136.68 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.504 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 59.5 ttp -106.74 151.64 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -138.69 -177.86 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.476 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 5.6 tt0 -101.77 128.64 48.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CD2' HG21 ' A' ' 37' ' ' VAL . 78.4 m-85 -120.19 142.03 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.7 p -154.38 179.83 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.4 t -146.69 156.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.578 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 7.6 ptm -149.01 -176.43 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 2.6 p -147.99 146.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -121.34 99.2 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -123.37 150.95 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.34 36.57 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 60.24 26.19 15.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.2 ptt-85 -140.48 147.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -103.33 130.41 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 20.9 p -85.4 -175.6 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.822 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -80.9 162.68 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.578 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 73.8 m95 -83.33 148.04 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.8 p -75.03 -174.57 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.406 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -53.89 154.07 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.476 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 63.8 m -89.02 126.66 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.78 114.95 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -87.74 139.03 30.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.86 110.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -79.61 150.76 30.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.9 p -89.42 160.5 16.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -70.19 147.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.52 113.72 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.479 ' CE ' HG21 ' A' ' 97' ' ' VAL . 79.2 mmm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.73 116.4 15.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 163.35 38.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.404 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.81 177.87 5.17 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.51 -176.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 32.46 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.35 111.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -117.55 146.94 43.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -118.14 99.95 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.5 t -91.62 132.92 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.43 116.0 28.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.8 -53.49 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 34' ' ' ALA . 1.1 t -148.42 172.67 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 26.6 p-80 -41.12 -48.84 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.51 ' OD2' ' CD2' ' A' ' 32' ' ' HIS . 1.1 p30 -113.37 42.14 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 31' ' ' THR . . . -153.35 127.19 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -139.91 113.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' VAL . 6.8 tpt180 -87.21 93.15 9.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 93' ' ' PHE . 84.6 t -84.78 109.57 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.93 152.99 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.446 ' CE2' ' HA ' ' A' ' 78' ' ' LEU . 35.6 p90 -144.23 -178.61 6.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.87 152.49 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.0 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HA ' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.2 tp -91.21 130.34 37.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -98.51 128.62 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 58' ' ' VAL . 90.5 m -108.19 142.69 38.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' N ' HG21 ' A' ' 57' ' ' THR . 16.8 t -115.92 121.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 2.4 ptp180 -127.39 149.85 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.489 ' CB ' ' O ' ' A' ' 92' ' ' GLU . 37.4 p90 -159.11 154.75 26.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.577 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ttp180 -152.77 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 p -50.04 127.71 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.577 ' CE1' ' HD3' ' A' ' 61' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -88.72 174.48 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 p -161.23 134.58 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -138.8 154.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.09 121.57 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 t -140.35 132.38 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -93.57 29.8 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -132.11 172.86 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.446 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 10.6 mt -96.67 24.0 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 p -156.95 131.45 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.89 150.27 49.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -112.15 99.53 8.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.7 103.69 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -103.56 152.52 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.94 48.61 6.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 1.3 mt -110.48 171.3 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.81 132.61 48.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.77 153.25 69.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.6 p30 48.54 33.44 4.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 91' ' ' TYR . 77.2 m -139.93 128.04 22.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -98.67 145.42 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 89' ' ' THR . 0.0 OUTLIER -131.5 -173.41 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 60' ' ' TRP . 11.8 mt-10 -100.23 143.49 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 37' ' ' VAL . 89.4 m-85 -133.7 139.76 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t -152.52 178.8 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 96' ' ' MET . 28.3 t -151.89 154.92 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.5 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -154.02 -176.37 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.479 HG21 ' CE ' ' A' ' 19' ' ' MET . 4.7 p -137.72 145.86 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -129.85 97.03 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -126.92 154.76 44.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 4.9 m-20 66.77 41.52 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 50.03 42.18 24.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -158.14 139.18 13.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.406 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 92.2 p -89.39 147.91 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 12.9 p -105.69 -174.35 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -84.85 165.26 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.566 ' CZ3' ' HG2' ' A' ' 59' ' ' ARG . 78.1 m95 -91.88 172.03 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.1 t -112.36 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 ptm -38.86 142.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.7 m -84.14 151.1 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.04 36.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -91.69 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . . . -163.81 105.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -72.61 146.13 46.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -86.77 153.93 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -64.04 140.28 58.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 117' ' ' ALA . 17.7 tt0 -62.93 107.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 116' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 69.8 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.45 107.16 7.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 169.57 18.49 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 107' ' ' SER . 53.0 Cg_endo -69.84 173.62 10.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.87 -176.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.64 60.77 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -82.79 111.45 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -112.02 140.52 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . . . -114.36 105.47 13.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.4 t -94.67 134.37 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.85 109.84 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.9 -55.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -146.48 176.12 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -44.13 -46.85 8.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -114.86 42.08 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' CB ' HG23 ' A' ' 31' ' ' THR . . . -152.65 130.63 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 t -141.73 113.92 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 28' ' ' VAL . 6.5 tpp85 -86.66 103.85 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.22 111.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.0 p -120.9 133.12 55.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.452 ' CE2' HG12 ' A' ' 95' ' ' VAL . 35.0 p90 -129.46 178.3 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.0 166.74 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 tp -125.82 139.89 53.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.67 132.33 54.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -112.09 153.98 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.03 123.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CE2' ' A' ' 70' ' ' TYR . 3.7 ptm180 -122.24 167.35 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 44.5 p90 -167.72 140.65 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.597 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 6.8 ttp85 -137.95 145.41 41.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.467 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -47.43 133.77 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.887 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 6.3 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.963 0.411 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -79.61 157.71 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -156.0 149.58 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -146.91 138.65 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -91.79 117.28 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 t -133.58 145.6 50.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -97.44 8.86 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -108.41 167.67 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD22 ' NE1' ' A' ' 39' ' ' TRP . 68.9 mt -92.52 19.9 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -154.45 131.53 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 81' ' ' THR . 10.0 t80 -128.69 140.85 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 2.7 m -98.13 125.72 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.19 98.29 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 p -100.7 157.16 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.01 48.8 18.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mt -109.25 -177.88 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.368 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttpt -99.19 136.95 20.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.32 57.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 44.06 26.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 m -130.52 125.28 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 14.1 tmm? -102.99 153.12 20.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -140.67 -175.41 4.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 3.1 pt-20 -112.22 125.6 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.461 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 18.8 m-85 -112.47 156.98 21.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.6 p -154.18 169.19 24.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.452 HG12 ' CE2' ' A' ' 39' ' ' TRP . 47.3 t -139.9 144.42 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.588 ' CG ' ' CZ3' ' A' ' 106' ' ' TRP . 5.0 ppp? -141.55 -175.46 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.08 143.62 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 93.6 m -124.21 98.42 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -126.05 144.27 50.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 14.8 t-20 73.55 49.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 7.9 ptm180 44.78 34.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.7 ptm85 -150.74 153.43 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 m -109.82 147.28 33.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 54.2 p -106.8 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.0 t -77.41 159.3 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.588 ' CZ3' ' CG ' ' A' ' 96' ' ' MET . 62.3 m95 -84.43 143.71 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 22' ' ' PRO . 94.7 p -72.37 177.89 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.3 ptm -47.39 123.14 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 93' ' ' PHE . 29.2 m -74.44 135.75 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.66 170.02 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -128.18 153.07 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 27' ' ' ALA . . . -168.33 116.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 90' ' ' MET . 2.0 m -84.28 155.27 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.0 p -99.84 157.33 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.8 133.15 45.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -52.04 127.2 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.6 mmm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.815 0.341 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.98 116.39 53.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.74 18.18 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.733 2.289 . . . . 0.0 112.324 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -145.95 -178.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.99 27.54 3.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.28 108.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -114.56 137.16 52.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.64 99.13 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ARG . 31.5 t -85.44 135.63 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.41 111.11 23.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mt -80.25 -52.01 8.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 34' ' ' ALA . 1.5 t -149.11 176.21 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 33.5 p-80 -46.13 -43.25 14.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.445 ' OD1' ' NE2' ' A' ' 32' ' ' HIS . 16.3 p-10 -116.49 41.13 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' N ' HG22 ' A' ' 31' ' ' THR . . . -153.67 131.95 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -143.65 115.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' VAL . 6.0 tpp85 -88.94 105.24 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.11 106.56 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.1 p -116.87 126.54 53.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.515 ' CE2' HG11 ' A' ' 95' ' ' VAL . 35.1 p90 -125.93 171.59 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.99 151.03 29.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' CD1' ' C ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.98 140.15 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 55' ' ' LEU . 8.8 m-85 -116.42 122.4 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.434 HG21 ' N ' ' A' ' 58' ' ' VAL . 58.9 m -92.37 156.17 17.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' N ' HG21 ' A' ' 57' ' ' THR . 23.1 t -139.68 126.59 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HD3' ' CH2' ' A' ' 106' ' ' TRP . 30.4 ptt85 -132.13 158.8 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.3 p90 -163.36 134.94 4.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.603 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -141.31 146.43 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.15 140.46 2.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 8.1 tttp -98.45 151.81 20.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -150.55 134.39 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -134.34 146.32 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.81 119.67 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -133.67 125.9 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.6 p -83.3 25.15 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -131.2 169.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.8 mt -94.69 27.98 2.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.2 p -157.69 134.1 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.536 ' CE1' ' CH2' ' A' ' 60' ' ' TRP . 32.4 t80 -138.67 140.07 38.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -99.77 113.19 25.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.41 97.56 10.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -103.36 149.11 25.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.55 46.81 5.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.68 -175.81 2.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.2 ttpp -97.58 133.22 23.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.14 62.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.466 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 2.1 t-20 55.55 32.94 20.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -139.51 126.47 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.42 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 11.4 tmm? -100.48 153.12 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.29 178.06 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.3 tt0 -101.16 125.27 47.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.0 150.75 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -153.97 158.47 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.515 HG11 ' CE2' ' A' ' 39' ' ' TRP . 61.0 t -139.62 146.72 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.513 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -143.74 -175.09 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.8 p -141.26 140.83 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.2 m -122.62 94.86 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -124.75 152.21 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 71.72 36.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.3 31.44 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -147.79 154.46 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.6 p -103.76 141.64 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 p -99.29 -175.71 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -82.77 165.17 20.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.513 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.8 m95 -84.25 166.18 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 108' ' ' MET . 15.8 t -107.86 170.38 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.449 ' N ' ' HG ' ' A' ' 107' ' ' SER . 5.2 ptm -39.75 139.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.455 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 2.9 m -79.34 150.18 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.57 119.39 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -92.56 126.32 37.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.94 111.32 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -80.69 147.97 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -86.49 161.13 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -75.23 141.68 43.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.466 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 17.2 tt0 -63.29 112.07 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.518 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 71.7 mmm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.54 112.55 1.35 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.482 ' HG3' ' CG2' ' A' ' 105' ' ' THR . 53.0 Cg_endo -69.78 171.18 14.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.81 178.59 4.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.08 -178.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.2 41.52 30.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 t -66.0 115.85 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -116.9 134.95 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.22 101.86 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' ARG . 23.2 t -93.88 135.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.0 114.12 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.6 mt -84.52 -52.31 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 34' ' ' ALA . 2.5 t -147.43 176.1 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -50.35 -37.42 36.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -119.37 41.96 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 31' ' ' THR . . . -156.47 143.77 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 t -152.44 117.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' VAL . 5.4 tpp85 -90.79 107.8 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -94.54 105.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -114.12 126.11 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.532 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 39.0 p90 -120.72 -175.65 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.29 167.46 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 56' ' ' TYR . 2.6 tp -129.21 145.47 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.412 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 m-85 -111.27 125.73 54.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.402 ' C ' HG21 ' A' ' 58' ' ' VAL . 6.7 m -103.73 148.83 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.402 HG21 ' C ' ' A' ' 57' ' ' THR . 14.0 t -133.27 125.6 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 70' ' ' TYR . 2.9 ptp180 -127.07 146.44 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 34.8 p90 -151.81 126.06 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.9 tmt_? -130.58 140.61 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.51 131.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.472 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 8.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -91.99 158.76 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -153.79 139.55 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -144.13 148.18 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.81 122.5 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 t -134.61 133.71 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.5 p -91.31 25.44 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.1 m -134.31 173.76 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 17.2 mt -94.37 24.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -152.52 141.31 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 137.06 28.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.7 m -99.27 108.31 20.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.82 98.91 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.1 p -100.59 147.87 25.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.08 48.46 4.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -110.28 178.37 4.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -97.59 136.78 21.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.411 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.74 158.8 55.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 15.6 p30 46.55 35.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -143.19 127.56 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -104.29 152.97 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 -175.43 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.7 OUTLIER -113.0 126.13 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -113.22 150.22 32.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.68 170.8 18.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 96' ' ' MET . 17.2 t -142.68 153.03 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.567 ' HG2' ' CE3' ' A' ' 106' ' ' TRP . 9.9 ptm -149.32 -175.05 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.83 146.59 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -128.69 101.81 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 27.1 ttmt -121.32 155.85 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.429 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.3 m120 59.05 30.5 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 6.8 mmp_? 63.99 25.45 13.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -138.26 148.49 44.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -97.52 149.07 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 78.4 p -96.71 -82.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.482 ' CG2' ' HG3' ' A' ' 21' ' ' PRO . 12.3 t -176.19 170.81 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.567 ' CE3' ' HG2' ' A' ' 96' ' ' MET . 76.1 m95 -93.11 140.53 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.8 p -79.4 -178.19 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.8 ptm -48.33 122.34 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 92' ' ' GLU . 53.6 m -74.69 141.73 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.23 170.55 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -135.18 135.18 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.99 121.76 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.4 150.01 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.6 p -92.8 146.79 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -57.43 139.32 53.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.08 106.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.901 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.431 ' CB ' ' CB ' ' A' ' 104' ' ' SER . 17.0 mtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.796 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -102.27 107.91 55.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.75 15.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.91 175.63 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.65 30.32 27.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.31 106.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -110.25 141.4 43.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -116.35 99.11 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ARG . 38.2 t -91.89 137.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 113.39 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 81' ' ' THR . 7.8 mt -78.16 -52.55 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 34' ' ' ALA . 2.8 t -146.68 176.58 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -49.49 -37.61 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -118.37 42.16 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 31' ' ' THR . . . -156.14 145.72 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 t -154.45 114.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' VAL . 11.1 tpp180 -91.69 100.61 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.54 HG21 ' CD2' ' A' ' 93' ' ' PHE . 99.8 t -87.52 112.34 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -119.37 132.83 55.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.507 ' CD2' HG22 ' A' ' 95' ' ' VAL . 36.7 p90 -130.39 -177.56 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.92 141.97 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 10.8 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tp -147.9 134.25 19.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.86 125.98 51.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -104.36 146.84 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.94 121.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -122.03 151.61 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.608 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 42.0 p90 -160.62 145.91 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -163.36 154.65 16.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 15.9 p -40.41 120.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.792 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 61' ' ' ARG . 10.5 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.608 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 11.6 ttmm -81.28 158.59 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.8 p -149.56 132.97 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -141.91 135.83 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.08 141.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -155.22 133.66 11.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.3 p -96.57 35.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.9 m -140.62 165.76 26.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.0 mt -92.33 27.65 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 p -160.33 128.82 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -131.38 140.7 49.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 30' ' ' LEU . 17.6 m -107.88 107.33 18.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.95 98.86 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.9 p -97.64 154.83 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.9 52.91 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mt -113.17 175.77 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -86.91 134.97 35.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.459 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.4 Cg_endo -69.81 149.59 66.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 11.4 p30 50.78 35.03 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -136.47 126.29 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.453 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 12.6 tmm? -100.22 148.54 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.2 -173.1 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -100.35 140.98 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.54 ' CD2' HG21 ' A' ' 37' ' ' VAL . 77.9 m-85 -132.5 138.53 47.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.422 ' C ' HG21 ' A' ' 95' ' ' VAL . 1.4 t -153.43 172.22 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 39' ' ' TRP . 59.9 t -145.0 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.592 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 13.6 ptm -148.48 -178.5 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.455 HG21 ' N ' ' A' ' 98' ' ' THR . 5.5 p -147.31 136.59 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.455 ' N ' HG21 ' A' ' 97' ' ' VAL . 96.7 m -114.93 97.86 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -126.09 154.92 42.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.33 42.29 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 10.1 tpp180 52.37 44.46 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.41 148.26 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 p -101.85 139.85 36.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 19' ' ' MET . 7.0 p -86.84 -174.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -90.22 165.68 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 68.8 m95 -87.41 133.76 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -78.33 172.94 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.805 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 ptm -41.43 138.16 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.7 m -80.94 136.83 36.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.66 117.46 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.453 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 3.4 m-70 -89.15 131.7 35.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . . . -150.04 114.4 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -84.83 142.59 29.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.4 p -82.31 165.18 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -76.23 147.87 38.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.48 108.45 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.448 ' CE ' HG13 ' A' ' 97' ' ' VAL . 91.9 mmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.94 118.68 16.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.5 41.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.2 Cg_endo -69.78 172.97 11.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.751 2.301 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.0 -178.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.99 34.8 16.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -64.94 124.9 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.54 132.39 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.02 99.39 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' ARG . 57.6 t -91.4 139.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.51 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD13 ' NH1' ' A' ' 36' ' ' ARG . 12.8 mt -77.78 -53.24 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.416 HG23 ' CB ' ' A' ' 34' ' ' ALA . 5.9 t -147.92 176.29 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -53.3 -28.44 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -125.22 41.58 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' CB ' HG23 ' A' ' 31' ' ' THR . . . -160.1 146.37 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -153.51 119.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -92.4 105.48 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.428 HG22 ' CD2' ' A' ' 93' ' ' PHE . 58.9 t -93.31 105.55 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 p -112.24 131.4 55.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.408 ' CE3' HG22 ' A' ' 95' ' ' VAL . 48.9 p90 -130.76 -179.89 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.46 162.33 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.6 tp -113.26 141.6 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -114.51 131.55 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 58' ' ' VAL . 25.9 m -111.84 146.56 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.466 ' N ' HG23 ' A' ' 57' ' ' THR . 58.1 t -124.37 128.64 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 106' ' ' TRP . 6.6 ptm180 -128.26 140.03 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 40.2 p90 -147.82 130.1 15.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 2.5 tmm_? -136.63 142.71 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 19.2 p -39.55 145.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 11.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.971 0.415 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 23.3 tttt -91.5 161.11 15.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.447 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 69.3 p -155.2 134.24 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 72' ' ' SER . 6.2 mp0 -139.97 133.62 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -89.03 121.31 31.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 t -145.56 144.93 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.6 p -90.69 -31.08 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.0 m -65.16 155.18 35.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.29 31.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 p -161.03 129.55 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -127.72 144.45 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.3 m -108.75 113.9 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 96.13 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.8 p -95.78 150.85 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.0 49.59 5.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.1 172.74 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -88.85 136.01 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 110.904 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.72 154.44 67.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.4 p30 48.78 31.97 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 m -135.48 127.68 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.423 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 66.7 ttp -102.13 153.38 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.5 176.27 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.3 tt0 -100.81 125.11 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.428 ' CD2' HG22 ' A' ' 37' ' ' VAL . 41.6 m-85 -111.38 147.3 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -154.33 151.04 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 39.3 t -125.82 144.51 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.581 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 22.3 ptm -142.42 -177.9 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.448 HG13 ' CE ' ' A' ' 19' ' ' MET . 3.1 p -136.93 141.39 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -129.14 95.58 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -126.07 153.22 44.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.46 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.9 m-20 68.61 38.39 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 54.3 38.93 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -154.06 141.9 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.429 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 3.6 p -101.11 144.22 30.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.7 t -76.51 163.05 27.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 78.6 m95 -89.26 143.42 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.9 p -70.55 -174.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.69 155.88 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 18.8 m -85.87 135.16 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.66 113.78 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -88.09 138.81 31.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.44 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -76.01 152.27 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 p -90.42 169.42 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.71 107.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.506 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 48.5 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.32 115.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HG3' ' CG2' ' A' ' 105' ' ' THR . 53.8 Cg_endo -69.77 171.16 14.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.71 179.83 3.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.91 -177.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.32 50.83 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.23 120.94 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -123.47 125.17 44.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . . . -102.96 100.62 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 40.5 t -88.41 135.15 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.49 110.18 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -81.01 -53.52 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 34' ' ' ALA . 1.9 t -148.27 176.2 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -47.69 -43.84 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -114.28 41.62 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 31' ' ' THR . . . -154.47 141.07 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.9 t -153.54 119.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' VAL . 3.8 tpt180 -94.27 94.69 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' CG2' ' CD2' ' A' ' 93' ' ' PHE . 92.9 t -85.75 105.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -113.12 154.58 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.463 ' CE2' HG13 ' A' ' 95' ' ' VAL . 49.6 p90 -148.95 -175.11 4.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.5 156.58 41.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.4 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 56' ' ' TYR . 1.6 tp -136.27 147.52 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.444 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.2 m-85 -112.41 125.43 54.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.3 m -106.37 148.73 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.7 117.26 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 1.0 OUTLIER -114.94 144.35 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.45 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p90 -153.37 156.74 38.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.572 ' HG2' ' CE1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -172.27 152.02 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.503 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 3.3 p -34.6 135.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.811 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 44.5 tttt -75.99 165.24 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.921 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -159.53 138.67 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -137.8 148.74 45.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CG ' HD21 ' A' ' 55' ' ' LEU . 78.3 m-20 -106.39 126.72 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.98 145.96 44.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -97.3 13.95 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 m -120.28 166.87 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD22 ' NE1' ' A' ' 39' ' ' TRP . 18.8 mt -90.34 30.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -164.81 129.92 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -123.02 143.91 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -108.5 104.69 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.61 98.63 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.1 p -98.81 141.78 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.07 49.05 4.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.95 179.11 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -93.59 136.0 24.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.451 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.77 153.6 68.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 2.7 p-10 47.31 34.86 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 m -138.81 124.72 19.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 91' ' ' TYR . 41.2 ttp -100.05 153.0 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.426 ' N ' ' HG2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.13 -178.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.433 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 1.9 tt0 -103.29 125.43 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.429 ' CD2' ' CG2' ' A' ' 37' ' ' VAL . 59.5 m-85 -115.39 141.14 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.94 158.28 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 23.5 t -128.53 155.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.487 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 11.7 ptm -149.13 -177.33 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -136.12 145.68 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.4 m -130.26 115.15 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -126.38 164.84 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 43.97 32.97 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.4 ttt180 62.84 42.7 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -147.64 152.81 38.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 p -103.13 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.506 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 80.5 p -93.2 -82.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.493 ' CG2' ' HG3' ' A' ' 21' ' ' PRO . 7.1 t -176.72 170.91 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.487 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 60.9 m95 -94.02 147.13 23.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.2 p -91.01 -175.87 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 20.9 ptm -44.66 135.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.433 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 6.9 m -79.9 141.96 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.98 123.21 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -94.04 132.81 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.455 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . . . -156.79 112.52 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.1 m -84.07 146.17 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -87.45 151.08 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -64.89 131.5 46.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.82 126.72 16.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.862 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 84.3 mmm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.98 105.19 8.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.16 15.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 177.49 5.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 m -134.99 -54.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.05 45.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.4 92.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -103.31 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.92 101.35 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . 61.9 t -91.54 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.21 111.21 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mt -76.03 -55.8 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 34' ' ' ALA . 5.2 t -147.37 177.05 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -44.5 -45.08 9.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -115.3 44.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' CG2' ' A' ' 31' ' ' THR . . . -157.03 132.81 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.88 114.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' VAL . 14.7 tpp85 -88.92 102.39 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 HG23 ' CD2' ' A' ' 93' ' ' PHE . 48.4 t -88.99 113.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.4 p -120.73 132.03 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.57 ' CD1' HG13 ' A' ' 95' ' ' VAL . 39.3 p90 -126.9 173.03 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.79 136.3 54.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tp -148.3 144.64 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -117.32 133.69 55.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.4 m -109.22 145.15 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.4 t -126.6 123.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HD3' ' CH2' ' A' ' 106' ' ' TRP . 37.6 ptt85 -126.64 144.56 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 38.8 p90 -150.9 131.23 13.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -133.42 144.26 49.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 p -44.09 130.33 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.883 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 7.2 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 11.7 tttp -96.42 157.31 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -157.29 139.87 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.86 170.4 15.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.49 125.43 47.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 138.57 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 p -93.61 30.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.5 m -140.4 161.88 36.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.68 34.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.8 p -163.49 137.44 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -137.22 143.07 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 m -104.29 114.99 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.46 92.79 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -95.52 150.23 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.48 50.87 5.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mt -111.54 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -82.04 131.49 56.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.464 ' CB ' ' HB1' ' A' ' 117' ' ' ALA . 54.4 Cg_endo -69.7 154.41 67.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 20.1 p30 48.76 31.11 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.13 138.14 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.441 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 55.8 ttp -111.77 151.61 28.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -141.93 176.13 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 3.6 pt-20 -101.76 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.9 m-85 -114.39 134.35 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.414 ' C ' HG23 ' A' ' 95' ' ' VAL . 8.1 t -127.46 177.78 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 39' ' ' TRP . 92.7 t -151.26 145.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.457 ' N ' HG11 ' A' ' 95' ' ' VAL . 5.1 ppp? -148.72 -179.97 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.22 145.98 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.7 m -125.4 102.22 7.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -125.34 152.03 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.443 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 15.2 m120 61.85 55.02 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.443 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER 39.86 38.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.56 141.0 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -96.28 153.96 17.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p -106.21 -174.91 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.0 t -82.86 158.94 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.412 ' CH2' ' HD3' ' A' ' 59' ' ' ARG . 74.8 m95 -80.7 155.21 26.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.9 t -99.37 174.69 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ptm -45.94 127.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 92' ' ' GLU . 20.6 m -75.78 146.45 39.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.44 159.72 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -119.48 150.08 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.436 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -167.33 121.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 m -94.42 136.33 34.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -79.81 158.21 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -67.96 153.93 42.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.0 112.2 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -109.62 176.27 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -84.27 47.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.24 138.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -166.87 131.93 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t 49.47 45.57 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.95 75.25 0.28 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -149.72 132.58 8.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.72 28.61 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 m -97.37 -62.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 t -137.71 134.6 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.94 115.16 2.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 161.04 47.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 59.36 52.62 5.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.52 116.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -102.93 61.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 p -117.87 148.94 44.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 4.45 2.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.6 mmm -130.06 169.57 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.11 105.37 6.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 169.79 18.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.311 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.06 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -144.94 -178.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.58 39.19 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.26 114.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -113.58 146.3 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . . . -120.29 101.48 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.2 t -94.5 136.28 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.57 114.74 27.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 36' ' ' ARG . 5.5 mt -81.99 -53.47 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 34' ' ' ALA . 1.7 t -144.99 176.31 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -46.64 -41.72 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -117.77 40.71 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' HG21 ' A' ' 31' ' ' THR . . . -152.55 131.28 12.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -143.56 113.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 28' ' ' VAL . 8.4 tpp85 -86.76 107.64 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.6 t -94.61 105.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 p -111.73 142.01 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.479 ' CE2' HG13 ' A' ' 95' ' ' VAL . 47.7 p90 -142.32 -178.7 5.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.62 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.95 123.4 46.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.91 -55.37 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t -41.56 -37.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.13 110.71 64.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.711 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.66 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.355 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.28 -59.44 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -121.59 126.87 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -172.51 137.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -132.28 109.88 10.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -116.49 152.81 33.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 t -96.62 28.86 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.21 149.96 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' CG2' ' H ' ' A' ' 54' ' ' ARG . 7.2 p -88.82 171.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' H ' ' CG2' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -173.94 143.49 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tp -133.77 134.09 42.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -100.8 125.29 47.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.448 HG21 ' N ' ' A' ' 58' ' ' VAL . 9.0 m -107.65 149.31 28.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.448 ' N ' HG21 ' A' ' 57' ' ' THR . 11.0 t -128.82 127.03 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 7.3 ptp180 -126.13 147.84 49.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.487 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 46.5 p90 -157.82 145.2 18.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -149.55 154.98 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.57 119.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -74.61 118.92 18.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 72.03 49.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 t -129.82 123.9 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.26 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 t -87.77 74.67 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.71 149.24 28.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -121.77 135.25 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 61' ' ' ARG . 6.3 m-85 -86.17 119.15 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 10.2 tttp -88.43 167.58 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.5 p -156.79 127.89 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -132.32 152.17 51.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -105.8 127.23 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 t -146.33 127.37 14.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.4 p -85.63 24.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.4 m -126.74 170.77 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 38.7 mt -95.9 23.92 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 p -156.88 129.9 7.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -128.44 144.67 51.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -105.16 111.14 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.91 101.58 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.3 p -103.7 155.41 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.87 50.99 8.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -110.23 -175.49 2.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 19.8 ttpt -100.52 134.67 20.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 148.86 66.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.09 27.37 11.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 m -132.31 137.07 47.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.459 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 62.0 ttp -109.28 152.2 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.11 173.32 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' CD ' HG21 ' A' ' 109' ' ' THR . 2.4 tt0 -101.93 125.39 48.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.564 ' CD2' HG21 ' A' ' 37' ' ' VAL . 12.8 m-85 -111.61 147.93 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.15 149.27 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.479 HG13 ' CE2' ' A' ' 39' ' ' TRP . 47.4 t -121.25 152.06 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.576 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 18.1 ptm -149.24 -175.05 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.0 p -146.01 150.13 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.4 m -128.22 94.71 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 36.9 ttmt -120.93 152.39 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.8 t30 71.3 32.29 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 62.25 25.65 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -144.33 156.86 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -105.85 145.12 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.5 p -101.87 -175.62 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.5 t -81.33 159.68 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.576 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.1 m95 -80.38 154.74 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.5 t -90.52 177.21 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.6 ptm -44.26 141.35 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 3.2 m -82.68 153.57 25.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.98 127.84 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -93.94 144.14 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 27' ' ' ALA . . . -168.64 109.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -83.88 152.44 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -90.91 156.8 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -73.36 148.05 43.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.63 121.96 14.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.58 172.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t 58.85 39.36 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 116.63 116.01 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.8 18.23 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -44.77 136.9 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.8 p -126.14 170.12 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 p -122.3 -53.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 p -113.65 -0.27 14.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.41 162.86 33.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -98.11 169.62 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -111.96 172.0 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.4 -36.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.574 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 72.0 t80 50.52 46.3 3.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 8' ' ' PHE . 54.0 Cg_endo -69.75 -3.25 11.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -87.88 152.93 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -66.36 161.14 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -51.34 145.89 13.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 148.68 65.81 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.93 176.39 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.9 mt -108.39 167.86 9.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m 43.38 39.17 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 p -97.94 151.18 37.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.606 0.717 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.7 Cg_endo -69.76 -176.3 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' PRO . 72.1 mmm -35.67 139.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.07 118.81 59.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.733 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 165.91 29.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.1 Cg_endo -69.73 177.98 5.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.1 -175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 30.92 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.3 105.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -112.44 159.1 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -128.84 99.76 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' ARG . 10.7 t -87.59 134.21 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.1 112.03 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.5 mt -82.64 -56.46 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.465 HG21 ' CB ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -148.94 176.53 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -42.57 -53.94 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -108.17 43.86 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' CB ' HG21 ' A' ' 31' ' ' THR . . . -155.79 133.19 10.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -146.73 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.6 tpp180 -89.14 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.97 112.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.7 p -122.11 134.84 54.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.495 ' CE2' HG13 ' A' ' 95' ' ' VAL . 27.0 p90 -127.29 179.25 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.12 161.92 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -118.45 105.46 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.84 -1.71 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -90.69 23.67 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.35 100.74 15.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -68.08 -66.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.87 114.09 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -155.13 112.39 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -132.98 50.07 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.9 p -114.28 155.05 26.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -100.82 77.39 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -115.92 119.66 36.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -101.97 152.12 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -163.66 147.07 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 56' ' ' TYR . 3.1 tp -101.93 149.07 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.459 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.0 m-85 -114.74 137.29 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -116.53 151.64 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.12 117.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.639 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 6.3 ptm180 -111.9 148.64 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.456 ' CZ2' ' CD ' ' A' ' 71' ' ' LYS . 48.4 p90 -153.89 126.84 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.575 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 7.0 tmm_? -133.86 139.6 46.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.431 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 3.1 p -43.16 132.71 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -87.36 139.05 30.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 62.31 27.94 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 p -93.84 -175.96 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.03 131.75 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.4 m 58.9 43.17 18.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . . . -106.64 161.06 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -110.56 153.21 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 10.4 m-85 -92.51 143.26 26.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' CD ' ' CZ2' ' A' ' 60' ' ' TRP . 13.4 ttmt -107.49 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -160.87 152.52 19.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -151.41 147.16 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.414 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 1.1 p-10 -101.45 124.4 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -137.56 135.6 36.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -89.0 36.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -146.44 164.86 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 60.9 mt -87.51 32.18 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 p -162.64 144.04 10.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -144.05 144.31 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -104.47 113.03 26.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.52 97.72 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -97.44 158.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.37 54.29 11.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.92 -174.89 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -97.68 132.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.79 155.89 64.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.6 p30 47.62 36.49 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m -140.59 141.25 35.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.449 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 48.7 ttp -115.48 149.76 37.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -137.06 179.86 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.472 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 2.6 pt-20 -107.08 125.56 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' THR . 10.0 m-85 -112.87 159.19 19.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.415 ' C ' HG22 ' A' ' 95' ' ' VAL . 1.1 m -153.36 175.73 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.495 HG13 ' CE2' ' A' ' 39' ' ' TRP . 64.1 t -147.27 137.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 23.5 ptm -140.09 -174.99 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 54' ' ' ARG . 13.2 p -148.43 144.14 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -119.74 96.11 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -125.14 148.43 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 21.4 t30 70.76 47.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 4.4 ptm180 48.46 31.17 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -148.11 149.56 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -95.97 151.16 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 105' ' ' THR . 28.3 t -100.64 -179.51 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.401 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.3 t -89.85 163.02 15.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.601 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 54.4 m95 -85.91 134.25 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' MET . 17.4 t -82.2 170.36 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . 5.6 ptm -35.79 129.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 110' ' ' ALA . 6.4 m -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 109' ' ' THR . . . -102.19 148.7 25.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -106.4 153.78 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.423 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -174.6 112.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 m -84.75 151.32 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -94.41 154.34 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.49 144.59 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -58.02 134.5 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.46 49.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.9 t -133.44 92.88 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.33 119.07 8.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.534 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.57 6.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.4 p -67.17 92.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.1 m -47.09 100.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -166.34 173.14 10.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 p -87.51 168.08 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.16 -152.91 27.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -173.8 124.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -109.72 170.95 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.0 -135.44 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 15.3 t80 -171.36 139.53 1.19 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 8' ' ' PHE . 53.4 Cg_endo -69.76 123.77 10.42 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.7 m -122.87 111.19 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -95.72 142.83 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.07 137.28 22.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 88.33 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -74.99 168.61 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.32 160.82 6.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -107.75 113.24 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.58 151.14 77.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.95 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.467 ' CB ' ' HB2' ' A' ' 104' ' ' SER . 76.4 mmm -88.66 155.46 19.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' C ' HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -117.44 105.07 49.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 170.09 17.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.73 177.85 5.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.62 -178.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.64 42.19 13.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.05 117.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.53 125.62 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -103.28 98.56 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.96 137.3 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.44 109.62 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.19 -54.89 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 t -149.18 176.56 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -47.38 -42.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -115.5 45.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.85 138.9 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 t -152.94 114.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -93.28 97.17 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.529 HG22 ' CD2' ' A' ' 93' ' ' PHE . 59.1 t -84.18 109.91 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -111.2 138.9 47.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.502 ' CE2' HG12 ' A' ' 95' ' ' VAL . 45.0 p90 -136.77 173.44 11.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.24 167.81 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.5 121.17 22.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -117.04 38.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.5 p -117.47 28.04 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 p -141.71 106.13 5.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' ASN . 53.7 Cg_endo -69.79 -162.9 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.327 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' ASN . 27.1 tttp -30.89 92.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 45' ' ' PRO . 17.8 t-20 28.05 46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' CB ' ' HG2' ' A' ' 45' ' ' PRO . 14.3 tp60 -96.11 76.62 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -55.71 168.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.5 t -107.47 123.43 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -62.03 -45.13 94.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.48 129.83 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -63.38 123.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 171.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -150.82 144.23 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.474 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 6.9 m-85 -116.6 122.68 45.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.424 ' C ' HG21 ' A' ' 58' ' ' VAL . 25.3 m -101.77 155.96 17.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG21 ' C ' ' A' ' 57' ' ' THR . 45.2 t -139.93 123.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -115.25 157.99 22.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 41.0 p90 -167.5 144.98 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.573 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -162.33 154.72 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p -40.64 126.23 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m -85.4 126.22 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 66.33 44.05 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -128.37 157.65 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -92.69 164.9 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' ALA . 1.8 t 34.23 50.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.19 128.91 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -88.0 136.01 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 6.4 m-85 -87.09 106.89 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 43.6 tttt -77.61 161.23 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 m -161.48 142.54 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.4 147.69 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.81 118.05 35.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -134.7 134.47 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.1 p -89.74 31.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 p -128.28 171.92 11.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -95.12 22.67 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 82.4 p -161.34 142.13 11.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -132.56 140.48 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -104.82 107.84 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.75 99.16 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.9 p -100.38 155.44 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.09 52.83 8.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.46 -178.78 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -87.2 128.93 53.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.9 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.73 46.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.409 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 2.2 t-20 60.44 35.07 20.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.9 m -139.4 134.27 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.419 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 24.3 ttp -104.23 151.08 23.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.6 OUTLIER -137.76 179.16 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.456 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 0.9 OUTLIER -100.91 125.3 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.529 ' CD2' HG22 ' A' ' 37' ' ' VAL . 46.6 m-85 -116.48 144.76 43.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -153.77 170.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 39' ' ' TRP . 43.3 t -142.55 150.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.475 ' N ' HG13 ' A' ' 95' ' ' VAL . 4.6 ppp? -146.16 -176.03 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 98' ' ' THR . 9.3 p -142.99 140.75 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.446 ' N ' HG21 ' A' ' 97' ' ' VAL . 38.4 m -119.05 94.91 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -126.04 142.99 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 3.8 t-20 74.96 47.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 3.8 ptm180 46.68 36.02 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -151.99 144.82 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.3 p -95.47 141.72 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 12.2 t -95.37 -179.0 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 104' ' ' SER . 8.2 t -87.67 152.35 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -72.16 146.6 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -84.35 -174.85 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 19.1 ptm -47.5 140.05 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.456 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 51.9 m -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.01 123.33 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -92.87 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . . . -163.86 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -81.05 142.01 33.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -81.28 158.53 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.7 153.64 38.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.409 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 13.2 tt0 -70.41 116.77 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.06 175.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.1 t -96.69 154.86 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.97 -147.7 5.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.1 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.9 t -111.21 43.28 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -65.49 156.32 32.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 p -103.92 163.14 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -72.3 -52.79 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.81 140.84 2.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -157.81 157.75 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 m -118.87 119.68 35.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -75.56 93.42 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.8 p90 -34.52 145.78 0.17 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.47 3.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.4 m -104.38 -51.21 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 m -72.83 176.3 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -82.89 134.8 46.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.74 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 114.91 3.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -143.2 166.01 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.89 178.34 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t 61.0 40.03 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -124.0 147.31 53.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.54 0.686 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.4 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.3 mtp -48.37 169.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.94 114.77 11.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 160.78 48.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.73 169.87 17.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -131.69 179.64 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.36 45.99 16.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -70.5 118.62 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' NE2' HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -121.96 137.93 54.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.78 101.11 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 36' ' ' ARG . 99.2 t -92.43 141.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.9 115.3 30.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -81.85 -53.47 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 34' ' ' ALA . 1.4 t -146.61 176.1 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 37.1 p-80 -44.94 -45.63 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.438 ' OD1' ' NE2' ' A' ' 32' ' ' HIS . 19.8 p-10 -115.23 41.24 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 31' ' ' THR . . . -152.32 130.76 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -142.11 119.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' VAL . 13.5 tpp180 -93.82 105.78 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.544 HG22 ' CD2' ' A' ' 93' ' ' PHE . 44.7 t -100.81 112.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -125.59 132.98 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.512 ' CE2' HG12 ' A' ' 95' ' ' VAL . 14.1 p90 -120.86 -174.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.98 146.81 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -102.37 114.58 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -113.27 26.06 10.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.3 m -112.66 37.85 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.6 t -122.23 83.78 45.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.24 57.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 162.16 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 50.11 38.58 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.29 128.47 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -63.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 p -63.97 106.09 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 m -108.11 75.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -93.89 113.17 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.8 t -44.56 132.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.59 144.87 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 tp -104.64 143.15 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -118.2 131.79 56.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 58' ' ' VAL . 22.5 m -111.05 153.06 26.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.171 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' N ' HG23 ' A' ' 57' ' ' THR . 19.9 t -132.44 114.41 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 7.7 ptm180 -109.54 150.51 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.506 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 43.2 p90 -159.57 145.32 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -157.8 147.3 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 2.9 p -33.85 127.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 p -78.43 118.69 20.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 64.83 54.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -118.7 122.37 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -40.65 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.4 m -110.44 120.7 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.17 151.6 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -100.76 142.72 31.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 5.7 m-85 -84.81 110.52 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.506 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 39.1 tttt -77.04 166.39 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.04 142.51 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -145.55 132.61 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -87.85 139.63 30.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -151.3 140.12 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -92.81 31.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 167.92 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 HD23 ' NE1' ' A' ' 39' ' ' TRP . 24.0 mt -93.44 25.64 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -153.92 133.03 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -131.93 150.22 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.7 m -115.77 97.74 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.17 105.05 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 p -105.35 159.02 16.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.92 48.57 20.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -107.06 -175.07 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 22.5 ttmt -96.82 133.92 23.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.407 ' CB ' ' HB1' ' A' ' 117' ' ' ALA . 53.2 Cg_endo -69.85 150.53 67.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.74 27.1 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.8 m -133.22 132.04 41.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 14.3 tmm? -104.62 152.42 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.471 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -136.83 -174.14 3.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 92.1 mt-10 -100.07 144.75 28.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.544 ' CD2' HG22 ' A' ' 37' ' ' VAL . 72.9 m-85 -134.02 135.86 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.418 ' C ' HG21 ' A' ' 95' ' ' VAL . 1.2 t -143.94 -177.83 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.512 HG12 ' CE2' ' A' ' 39' ' ' TRP . 58.6 t -154.97 144.87 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -147.11 172.68 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.1 p -137.85 141.56 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.8 m -119.45 95.87 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -126.0 144.52 50.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 6.2 t-20 74.29 47.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 21.7 ptt180 47.84 30.99 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -148.65 146.09 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 p -103.91 141.89 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -93.85 -174.95 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.9 t -88.68 158.51 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 55.4 m95 -80.66 138.84 36.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' MET . 41.2 t -77.71 170.01 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' SER . 3.3 ptm -34.74 151.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.3 m -96.23 135.48 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 127.28 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.456 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 5.6 m-70 -93.2 135.99 33.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.89 119.01 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -87.47 154.32 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 p -94.9 160.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -71.31 155.38 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.58 117.8 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 87' ' ' PRO . . . -53.85 -42.39 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 t -126.02 82.44 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -176.2 83.71 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 121' ' ' SER . 54.3 Cg_endo -69.77 -5.24 15.73 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 120' ' ' PRO . 90.3 p -36.14 -54.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 t -95.88 130.48 42.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -109.62 111.03 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -152.13 124.21 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.35 -138.96 12.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -148.36 162.81 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -40.31 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.67 -140.23 2.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -53.77 113.38 4.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 175.59 7.94 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 p -137.34 155.7 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -150.72 145.4 25.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -38.76 150.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.99 29.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.14 163.17 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.2 mt 40.05 42.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.8 p -65.35 174.2 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 p -146.23 149.12 37.18 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.547 0.689 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 4.53 2.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.6 mmm -129.95 160.06 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.24 115.42 13.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 169.41 18.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.97 8.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.04 -178.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.72 41.84 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -72.86 125.02 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -133.32 132.66 41.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . . . -103.15 104.5 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 3.3 t -91.31 130.02 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.57 109.57 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.2 mt -81.07 -53.29 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -148.34 176.02 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -46.07 -46.78 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -113.91 41.95 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -154.37 134.9 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 t -148.03 118.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' VAL . 6.8 tpt180 -93.21 96.06 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.561 HG23 ' CD2' ' A' ' 93' ' ' PHE . 57.8 t -88.1 111.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.68 152.56 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.468 ' CE2' HG11 ' A' ' 95' ' ' VAL . 33.4 p90 -143.79 -179.52 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.18 157.99 20.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -113.18 105.81 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 p -85.36 43.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.41 127.34 21.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 129.68 18.04 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.58 158.67 33.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.1 38.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -78.24 145.12 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -118.39 -58.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.92 113.41 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.9 p -148.85 145.15 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.1 143.94 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 t -58.01 144.12 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.84 149.36 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -129.06 144.3 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.51 139.15 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 m -121.29 157.52 30.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.0 t -136.53 123.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 70' ' ' TYR . 6.9 ptm180 -114.56 149.78 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 33.7 p90 -168.27 142.13 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 70' ' ' TYR . 7.0 ptt85 -159.58 157.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.439 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 7.1 p -36.56 134.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -77.75 139.6 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 41.66 46.9 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 142.47 29.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.16 -64.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -122.9 121.0 35.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.35 141.37 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -95.92 121.62 37.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 59' ' ' ARG . 4.0 m-85 -57.55 135.48 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.557 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 28.2 tttt -89.57 165.67 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 p -157.63 126.42 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.508 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 7.4 tm-20 -130.34 130.88 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.88 123.36 32.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -143.28 143.31 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -101.16 23.52 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -121.03 163.88 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 17.0 mt -89.32 10.47 22.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -148.27 133.86 18.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.508 ' CE1' ' HG3' ' A' ' 73' ' ' GLU . 81.0 t80 -128.7 149.2 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -115.39 101.87 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.14 100.43 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -96.94 150.01 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.88 52.97 6.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 mt -107.4 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.356 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 21.6 tttp -92.65 130.41 37.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.51 38.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 59.32 35.96 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -139.48 124.1 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -95.61 150.88 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.45 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -136.9 174.76 10.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 1.1 tt0 -103.1 125.05 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CD2' HG23 ' A' ' 37' ' ' VAL . 44.5 m-85 -114.74 146.47 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -153.52 145.18 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG11 ' CE2' ' A' ' 39' ' ' TRP . 11.3 t -114.58 155.27 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -151.29 -175.02 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.3 143.13 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.6 m -124.58 95.54 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -123.94 160.98 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 64.99 31.91 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 62.81 25.6 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 2.6 ptm85 -143.79 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 p -106.62 144.31 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.6 p -101.78 -178.88 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 t -76.92 169.81 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 84.4 m95 -88.62 161.24 17.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.2 p -98.67 179.87 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.8 ptm -47.23 129.52 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 49.2 m -71.22 157.58 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.433 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -130.04 116.42 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.99 133.63 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 27' ' ' ALA . . . -153.23 111.98 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.3 m -83.23 151.23 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.8 p -92.89 161.04 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -77.61 146.51 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.61 110.5 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.64 -50.06 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -55.96 -49.68 72.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -149.69 100.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 168.14 22.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m -72.59 105.04 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.6 t -110.17 105.09 14.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.472 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.5 t -92.29 54.0 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.2 t 36.5 43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.29 44.75 1.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -126.96 42.33 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.393 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -170.6 174.94 4.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 -170.03 1.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -155.39 105.86 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 90.66 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.725 2.283 . . . . 0.0 112.386 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.6 m -80.94 -48.14 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.33 82.19 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.5 m -128.36 118.7 20.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.588 0.709 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.65 2.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.2 p-10 -132.68 44.45 2.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.82 178.74 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.8 p -47.51 174.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -122.13 145.07 43.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.8 Cg_endo -69.8 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.412 ' HE3' ' CG1' ' A' ' 97' ' ' VAL . 28.2 mmm -37.52 154.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' C ' HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -104.81 105.51 51.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.674 0.749 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 169.93 17.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.73 2.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.6 -176.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.76 37.87 7.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.6 110.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -116.89 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.02 101.06 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -90.31 132.82 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.15 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.55 -54.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 34' ' ' ALA . 2.9 t -147.06 176.44 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -50.06 -36.64 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -120.51 42.43 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 31' ' ' THR . . . -157.02 139.98 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 t -153.36 119.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -93.8 104.52 16.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.56 HG22 ' CD2' ' A' ' 93' ' ' PHE . 31.5 t -98.62 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.9 m -118.86 132.05 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 21.4 p90 -121.56 -175.72 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.47 147.95 46.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -94.99 125.68 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -123.89 -17.54 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.8 p -84.9 37.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -173.62 124.84 0.43 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 111.169 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -86.21 -39.42 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -76.68 46.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 3.0 tt0 -177.07 150.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 48' ' ' GLN . 11.4 mptt -106.24 173.89 6.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.64 115.99 28.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.4 t -89.84 -62.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' CB ' ' HD2' ' A' ' 99' ' ' LYS . 1.1 mp0 -64.28 121.49 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.75 133.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.53 168.09 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 74' ' ' ASP . 5.0 tp -148.83 149.99 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.417 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -120.66 118.41 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.472 HG21 ' N ' ' A' ' 58' ' ' VAL . 27.4 m -99.94 149.66 23.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' N ' HG21 ' A' ' 57' ' ' THR . 14.5 t -131.78 126.04 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -121.1 152.63 38.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 46.1 p90 -165.43 132.27 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.599 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 11.0 tpt180 -165.02 158.06 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.501 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.5 p -31.43 135.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -85.21 139.06 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 62.92 25.9 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -115.18 81.33 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.28 -70.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 m -73.23 101.13 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' HB2' ' CG ' ' A' ' 61' ' ' ARG . . . -174.43 125.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -68.32 112.82 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.599 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 4.1 m-85 -82.28 140.35 33.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -86.41 165.66 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 p -160.68 123.11 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.6 145.93 49.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.464 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 4.1 p30 -102.13 116.36 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -137.6 149.83 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.5 p -102.55 6.57 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -104.63 166.02 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.0 mt -96.32 29.2 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -157.93 129.84 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -136.98 140.5 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 m -104.46 119.88 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.52 97.27 10.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.1 p -97.62 156.12 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.97 52.03 9.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mt -109.75 -176.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.5 ttpt -97.28 130.76 28.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.444 ' CB ' ' HB1' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.77 144.52 54.24 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 61.6 25.62 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.2 m -131.72 128.38 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.416 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 36.1 ttp -100.48 152.43 20.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -137.06 174.74 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -101.19 125.4 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 37' ' ' VAL . 56.8 m-85 -112.23 137.78 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.97 146.93 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.498 HG22 ' CD2' ' A' ' 39' ' ' TRP . 47.1 t -117.4 145.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -140.81 168.7 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.412 ' CG1' ' HE3' ' A' ' 19' ' ' MET . 5.5 p -128.86 140.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -124.23 96.33 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.406 ' HD2' ' CB ' ' A' ' 52' ' ' GLU . 20.3 ttpp -125.76 161.79 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.03 31.81 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 62.4 32.08 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -150.78 151.74 32.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 p -101.28 143.37 31.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.41 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 59.5 p -97.41 -174.72 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 t -84.72 159.25 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -81.6 139.0 35.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.0 t -79.54 176.97 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 16.8 ptm -41.81 146.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 m -97.48 147.72 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -116.34 122.74 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -89.44 135.42 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.18 107.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -79.61 144.32 33.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.3 p -82.51 146.85 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -63.47 151.93 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -67.24 115.57 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' ' 87' ' ' PRO . . . -47.34 -49.94 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.4 p -71.72 122.19 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.68 147.37 14.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.45 17.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.5 m -84.0 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.8 m -45.28 139.8 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.8 t -86.29 -19.86 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.918 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' SER . 15.3 m 37.3 51.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.47 82.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -150.24 135.85 18.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -91.08 161.44 15.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.75 76.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -173.31 146.22 1.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.5 p -69.94 88.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -167.26 166.08 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 p -88.75 121.41 69.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 4.92 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 50.36 32.78 6.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.84 -45.29 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t 45.93 47.76 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 p -116.75 145.27 35.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.59 2.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 82.3 mmm -126.77 166.55 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -133.99 115.07 13.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 -178.87 2.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.9 m -144.64 -177.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.79 44.41 17.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 t -74.12 109.63 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -113.14 134.69 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.45 101.61 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' ARG . 20.7 t -90.09 134.63 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.72 108.89 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.39 -53.99 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.72 176.14 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -44.79 -46.61 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -114.21 41.26 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' CB ' HG23 ' A' ' 31' ' ' THR . . . -152.35 132.99 13.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 t -145.29 115.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.3 tpp180 -86.25 100.0 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 93' ' ' PHE . 86.0 t -90.97 109.05 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.05 153.04 35.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.485 ' CE2' ' HA ' ' A' ' 78' ' ' LEU . 36.5 p90 -146.78 -177.69 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.96 170.67 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.0 p-10 -131.46 116.31 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.61 19.28 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.3 t -98.45 14.58 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.56 115.27 8.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.61 3.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -82.55 156.91 23.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 43.11 50.64 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -122.58 126.21 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -88.27 106.35 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 119.93 21.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -104.57 -43.15 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 2.8 mp0 -77.31 109.0 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 p -51.19 172.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.15 153.55 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tp -134.46 135.88 42.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.12 134.02 44.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 m -112.03 141.6 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.68 118.17 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.605 ' NH2' ' CD1' ' A' ' 106' ' ' TRP . 19.5 ptt180 -122.38 148.91 44.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.453 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.1 p90 -149.56 130.29 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.617 ' HE ' ' N ' ' A' ' 70' ' ' TYR . 5.8 tpp85 -130.62 143.56 50.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -47.95 135.08 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -89.97 119.8 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 68.5 49.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.21 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.01 -47.42 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.1 p -145.66 110.5 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.27 177.64 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 138.62 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.617 ' N ' ' HE ' ' A' ' 61' ' ' ARG . 11.6 m-85 -74.49 117.75 16.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 34.2 tttt -78.63 154.53 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.7 p -147.42 132.24 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -142.16 139.79 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -88.89 134.32 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -149.96 128.72 12.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.8 p -93.59 36.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . 27.8 m -140.06 169.0 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.5 mt -94.49 24.91 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -157.74 131.24 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -131.82 151.06 51.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -113.08 102.76 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.61 99.12 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 p -102.12 154.4 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.8 48.25 10.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.85 -174.72 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -97.37 134.12 23.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 156.48 63.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.4 p30 45.08 37.79 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.6 m -143.09 126.06 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.401 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 12.2 tmm? -101.93 152.58 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.4 OUTLIER -138.26 -179.89 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.77 125.98 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 37' ' ' VAL . 57.2 m-85 -115.04 150.76 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -153.52 -178.53 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 96' ' ' MET . 64.9 t -152.43 145.44 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.461 ' N ' HG12 ' A' ' 95' ' ' VAL . 5.5 ppp? -149.43 -176.2 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 98' ' ' THR . 2.3 p -144.84 144.27 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 97' ' ' VAL . 86.3 m -115.49 97.97 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.57 154.09 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.4 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 49.5 m-20 63.54 40.55 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 54.57 28.62 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.46 145.59 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.45 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 17.2 p -94.03 137.13 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 105' ' ' THR . 11.1 t -87.91 179.3 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.447 ' N ' ' OG ' ' A' ' 104' ' ' SER . 11.7 t -79.57 172.68 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.605 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 76.0 m95 -95.64 145.24 25.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.4 p -81.18 -176.53 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.5 ptm -51.17 145.04 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.6 m -82.3 137.48 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.38 122.82 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -92.15 141.35 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.67 114.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 m -86.05 148.6 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.8 p -87.47 164.63 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -72.61 149.3 44.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.01 108.49 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.91 7.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -102.25 86.14 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -176.13 74.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -12.24 32.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -121.76 120.73 35.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -123.16 43.35 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -129.51 160.22 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -117.57 137.26 52.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.88 46.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -142.19 166.13 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -65.05 153.44 40.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.97 -114.62 1.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.462 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.7 m-85 50.74 53.25 13.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' SER . 53.5 Cg_endo -69.81 -2.67 10.6 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.8 p -57.25 80.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' PRO . 6.3 m -146.91 140.47 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.14 113.87 43.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -154.58 137.4 15.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.5 -49.39 60.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -114.75 172.4 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 p -131.76 149.41 73.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.112 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.455 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 13.5 mtp -48.1 167.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.47 115.06 21.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 160.77 48.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -176.81 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.95 -175.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.32 29.04 6.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HB ' ' SD ' ' A' ' 108' ' ' MET . 2.5 t -60.62 111.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.311 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.98 123.07 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 97.56 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.9 t -92.61 136.03 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.23 112.9 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -78.63 -52.42 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.424 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.54 175.97 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -44.75 -47.34 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -113.17 42.18 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -154.11 132.93 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -144.97 117.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tpp85 -90.11 111.62 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -99.06 106.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -116.21 133.57 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 37.5 p90 -129.49 173.49 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.99 151.17 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 14.4 p-10 -104.64 128.3 52.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -123.98 -24.42 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.2 p -84.42 41.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.01 109.49 7.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.33 9.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -62.96 157.05 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 21.9 t-20 64.07 51.73 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -100.61 122.93 44.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -61.22 2.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 p -106.75 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.4 p -137.27 148.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -87.14 142.81 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.23 130.68 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -127.02 155.44 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 tp -131.0 142.45 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.54 128.55 55.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 58' ' ' VAL . 5.7 m -109.15 150.53 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' THR . 34.5 t -132.59 124.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.562 ' HG2' ' CH2' ' A' ' 106' ' ' TRP . 0.2 OUTLIER -132.04 144.89 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 24.0 p90 -148.83 139.51 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.529 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 7.5 tmm_? -136.23 139.52 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 65' ' ' SER . 4.7 p -36.16 137.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.407 ' N ' ' HA ' ' A' ' 91' ' ' TYR . 37.2 m -79.16 128.93 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 55.47 46.51 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 62' ' ' THR . 91.0 p -100.78 -176.27 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.41 128.87 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m 62.43 33.06 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.42 173.59 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.23 158.56 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.529 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 9.9 m-85 -105.19 128.35 53.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -84.67 169.96 13.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -161.38 138.94 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -145.26 151.32 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -103.79 127.14 51.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -144.37 130.86 19.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 p -90.79 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -135.72 164.59 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 18.7 mt -90.25 30.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -161.9 130.48 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -133.82 140.87 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.9 m -101.37 108.73 20.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.01 103.46 10.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -104.0 150.26 24.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.77 49.15 5.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mt -107.88 177.02 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttmm -92.22 133.13 30.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.83 63.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.457 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 1.8 t-20 53.98 27.88 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -132.27 132.43 43.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.7 ttp -106.57 150.98 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -138.77 -174.27 3.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 27.1 mt-10 -100.19 140.02 35.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -129.99 143.14 50.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -154.01 -178.64 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 96' ' ' MET . 97.5 t -151.6 150.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.555 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 12.7 ptm -150.39 173.07 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.05 133.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.5 m -107.2 94.15 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -121.58 154.93 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 8.5 m-80 64.32 46.98 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 8.3 ptp180 47.45 35.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.7 ptm85 -153.64 154.5 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.92 138.76 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 17.4 p -92.28 -174.4 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -87.41 161.49 17.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 59' ' ' ARG . 79.5 m95 -83.8 136.31 34.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -66.65 -174.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.401 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -51.89 153.19 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.1 m -87.98 132.21 34.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.57 123.96 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -97.2 134.49 40.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.57 112.49 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -82.55 149.85 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 p -90.77 161.87 15.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -75.23 145.02 42.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.457 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 16.2 tt0 -63.05 111.5 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.4 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.5 m -101.18 76.8 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -175.98 86.83 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.54 16.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.7 m -119.65 149.4 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.8 t -124.92 125.87 44.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -159.67 149.42 18.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -99.84 42.07 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.06 -39.8 7.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 70.48 41.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m 62.55 40.59 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.41 0.74 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -130.19 99.81 19.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 170.11 17.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.7 m -72.63 135.14 45.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -123.9 107.58 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.07 142.98 79.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.65 162.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD11 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -49.13 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' C ' HG21 ' A' ' 17' ' ' THR . 78.7 p -90.53 167.58 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 HG21 ' C ' ' A' ' 16' ' ' SER . 79.7 p -150.08 150.61 30.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.698 . . . . 0.0 111.152 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.468 ' CE ' HG22 ' A' ' 97' ' ' VAL . 53.6 mmm -127.43 -177.37 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.04 112.94 2.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -178.69 2.44 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 HG22 ' ND2' ' A' ' 42' ' ' ASN . 27.4 m -143.68 -177.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.48 34.09 18.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.0 t -63.83 108.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.09 136.94 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.19 101.47 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.2 t -93.46 133.38 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.16 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.8 -51.75 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 34' ' ' ALA . 1.4 t -148.72 174.76 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -44.81 -44.75 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 9.0 m-20 -115.01 41.09 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG21 ' A' ' 31' ' ' THR . . . -153.7 132.79 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.11 113.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' VAL . 9.4 tpp85 -85.9 107.88 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.511 HG21 ' CD2' ' A' ' 93' ' ' PHE . 43.5 t -94.84 109.3 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -118.87 137.53 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 34.6 p90 -133.83 -175.54 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.82 161.27 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 10.9 p30 -119.35 101.29 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' ND2' HG22 ' A' ' 23' ' ' VAL . 25.3 m-20 -87.92 -16.96 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 p -90.89 35.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 44' ' ' VAL . 11.1 p -124.95 93.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.96 25.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.323 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -82.17 159.33 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 62.7 38.59 11.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -85.01 82.53 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -91.58 -55.35 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -107.06 111.58 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 m -144.18 -177.75 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -101.43 125.04 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 p -38.34 158.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 138.35 10.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 56' ' ' TYR . 2.3 tp -115.02 146.92 40.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.427 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -109.39 127.48 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -108.41 150.44 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.17 125.32 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -128.21 155.25 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.555 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 48.5 p90 -160.1 131.62 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -134.89 145.36 48.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -38.07 139.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.1 p -81.93 131.63 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 48.84 51.19 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -119.49 130.06 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.34 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -98.42 132.86 43.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.08 150.21 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -103.97 118.27 36.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.7 m-85 -69.67 108.86 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.555 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 7.5 ttmm -72.82 157.14 38.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -155.8 126.65 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -129.29 157.2 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -110.05 131.0 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -150.35 144.66 25.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 p -97.33 4.85 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -101.95 173.24 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.497 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 80.4 mt -100.72 19.52 16.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -151.57 128.72 11.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -129.44 139.5 51.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.6 m -101.58 113.33 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.77 101.99 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -102.08 158.66 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.9 55.43 7.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 1.2 mt -114.93 -176.81 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -99.15 136.83 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.8 65.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.19 39.68 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m -142.95 128.24 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.413 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 13.7 tmm? -103.88 152.96 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -138.67 -179.38 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 5.4 tt0 -102.27 125.77 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.511 ' CD2' HG21 ' A' ' 37' ' ' VAL . 21.0 m-85 -116.71 141.92 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -151.58 166.36 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 96' ' ' MET . 42.1 t -137.61 154.57 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.59 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 20.9 ptm -151.95 -175.0 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG22 ' CE ' ' A' ' 19' ' ' MET . 1.3 p -143.02 138.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 93.0 m -119.6 94.09 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' CD ' ' HB2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -126.41 152.18 46.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.434 ' HB2' ' CD ' ' A' ' 99' ' ' LYS . 33.0 t-20 74.29 31.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 63.03 28.08 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -146.82 154.12 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 94.9 p -106.01 133.64 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.436 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 1.3 t -89.78 175.19 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 104' ' ' SER . 15.0 t -75.87 169.24 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.59 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 84.1 m95 -88.25 158.24 18.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t -97.61 176.07 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.3 ptm -40.08 131.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.454 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 19.4 m -78.81 154.34 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.26 124.39 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.57 129.06 39.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.96 114.91 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -86.69 146.91 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.8 p -88.24 154.01 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -71.62 151.49 43.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -68.43 111.67 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.2 162.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.5 t -108.16 149.73 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.6 -94.41 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -13.22 34.58 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -96.18 173.11 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.0 t -149.84 168.88 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 71.17 41.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -83.6 138.7 33.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.08 174.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -94.05 92.55 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 m -125.49 83.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.5 167.42 12.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -138.13 123.27 12.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' THR . 54.2 Cg_endo -69.7 -16.85 37.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.1 m -34.94 125.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -43.71 137.69 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.53 129.83 94.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.78 20.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.87 147.55 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mp -105.55 32.01 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.3 m -96.34 -34.82 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 p -41.65 154.56 0.24 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.627 0.727 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -165.13 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.2 mmm -42.66 154.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -118.78 123.94 28.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.44 27.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -144.09 -176.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.49 45.92 5.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.75 102.93 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.79 148.53 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . . . -118.76 100.47 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 22.3 t -92.59 134.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.79 113.96 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 81' ' ' THR . 13.1 mt -85.19 -52.35 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.1 t -149.1 172.15 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -40.96 -48.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -113.35 43.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -155.33 126.05 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -138.24 111.58 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.7 tpp180 -81.99 112.19 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.01 107.03 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.2 p -109.88 141.6 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.484 ' CE2' HG13 ' A' ' 95' ' ' VAL . 46.1 p90 -142.12 177.41 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.88 167.95 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -123.06 123.62 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -117.08 -5.78 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -53.03 -22.52 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.69 113.76 54.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.68 26.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -174.68 178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -76.36 49.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -40.6 127.64 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -51.22 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -85.23 105.27 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 p -99.09 115.11 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.98 144.76 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' C ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 p -87.21 141.58 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' HG3' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -143.59 -176.77 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tp -128.48 135.29 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.64 127.01 53.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.418 ' C ' HG23 ' A' ' 58' ' ' VAL . 25.6 m -102.13 156.74 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 57' ' ' THR . 16.1 t -141.59 123.52 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.0 ptt85 -129.97 159.35 36.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.492 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 32.5 p90 -159.71 141.66 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.576 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 2.2 ttt180 -139.08 143.54 38.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -42.8 126.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -79.82 129.51 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 70.15 34.42 2.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -106.0 129.45 54.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.29 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -135.36 121.62 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.52 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -104.55 152.53 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.576 ' CE1' ' HD2' ' A' ' 61' ' ' ARG . 13.6 m-85 -99.92 130.69 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -96.58 154.99 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -145.83 140.8 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -147.14 136.08 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -87.94 139.31 30.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -153.1 128.61 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.9 p -94.04 39.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.1 m -143.63 170.14 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 HD23 ' NE1' ' A' ' 39' ' ' TRP . 24.8 mt -94.88 25.27 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -160.99 124.12 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -124.68 151.1 45.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.468 HG21 ' CD1' ' A' ' 30' ' ' LEU . 35.0 m -112.99 99.09 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.43 104.18 4.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.8 p -105.8 158.52 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.52 43.93 11.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.99 -179.92 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -95.07 134.09 25.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.477 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.71 153.99 68.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 12.1 p30 51.8 30.52 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 m -135.82 139.56 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.445 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 62.3 ttp -114.54 153.22 30.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -144.55 -178.34 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.4 OUTLIER -106.54 141.59 37.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 72.0 m-85 -128.75 137.55 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -140.45 145.27 36.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG13 ' CE2' ' A' ' 39' ' ' TRP . 24.8 t -118.14 152.01 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.447 ' N ' HG11 ' A' ' 95' ' ' VAL . 4.9 ppp? -148.89 -175.09 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 p -144.25 148.65 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.8 m -126.94 98.95 5.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -126.44 157.83 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 64.01 40.25 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 55.8 28.19 11.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.6 ptm85 -145.16 153.91 41.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -98.67 148.16 24.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 105' ' ' THR . 13.9 t -96.4 -179.7 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.1 t -86.92 160.17 18.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -83.35 136.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 t -80.42 179.26 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.7 ptm -48.16 123.33 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 92' ' ' GLU . 29.6 m -72.12 144.65 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.51 160.76 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -122.43 150.27 42.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . . . -167.46 119.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -88.99 147.74 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.6 p -92.3 150.07 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -61.08 152.16 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -71.16 110.72 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.31 -54.87 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 p -160.4 122.37 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.65 -157.49 20.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.33 57.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.8 p -108.95 134.67 51.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.0 p -115.94 145.92 42.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -107.5 -60.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.18 168.42 20.52 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -102.7 166.35 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -109.99 41.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.3 -113.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -140.53 155.51 69.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 154.61 67.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -138.96 165.88 25.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -72.2 131.56 42.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.25 147.81 42.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 111.184 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 53.7 Cg_endo -69.75 160.94 47.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.347 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' PRO . 45.7 m-20 -37.61 150.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.31 85.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -70.49 -42.96 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -140.91 151.41 62.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.526 0.679 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 4.81 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.521 ' CB ' ' HB2' ' A' ' 104' ' ' SER . 14.4 mtp -74.44 -174.43 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -142.08 106.68 5.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.73 161.02 47.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -154.1 -179.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.89 51.72 23.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.09 119.72 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -120.86 130.8 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . . . -107.71 100.9 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' ARG . 43.3 t -94.28 140.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.72 114.11 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.13 -52.03 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 34' ' ' ALA . 2.5 t -147.92 176.43 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -49.13 -34.65 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -123.05 41.17 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 31' ' ' THR . . . -154.54 139.0 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -147.89 115.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.9 tpp180 -88.97 109.92 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG23 ' CD2' ' A' ' 93' ' ' PHE . 59.8 t -101.28 111.95 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.18 153.75 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.805 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -147.77 -175.15 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.21 137.01 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -88.35 107.66 18.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -89.93 -36.73 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 p -53.84 -24.31 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.3 t -108.29 103.02 49.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -167.18 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -148.21 124.62 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -146.35 131.03 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -121.42 71.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 t -83.83 159.96 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.5 t -104.04 -52.57 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.56 119.94 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.429 ' C ' ' HG3' ' A' ' 54' ' ' ARG . 3.1 p -48.41 173.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' HG3' ' C ' ' A' ' 53' ' ' VAL . 4.6 mtt-85 -142.31 135.31 28.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 tp -120.29 143.35 48.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.78 129.88 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -113.2 150.83 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 72' ' ' SER . 26.9 t -134.32 128.68 52.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 31.7 ptt85 -121.42 151.63 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.557 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 41.5 p90 -154.88 125.96 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.572 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -134.98 142.12 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 5.9 p -39.25 135.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.8 t -89.33 132.11 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 53.64 46.84 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -118.42 156.12 29.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -61.04 177.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -37.05 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 66' ' ' ALA . . . -118.01 178.9 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 141.51 47.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 -89.34 124.66 34.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -101.9 145.22 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . 1.2 t -162.48 153.99 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' CD ' ' OH ' ' A' ' 80' ' ' TYR . 5.2 pt-20 -151.67 171.74 17.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -87.68 145.54 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.4 t -154.93 109.24 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.7 p -79.85 41.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -142.26 153.26 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.46 18.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.6 p -153.43 119.78 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.405 ' OH ' ' CD ' ' A' ' 73' ' ' GLU . 54.7 t80 -110.15 151.57 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.3 m -123.95 101.32 7.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.91 100.68 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -104.23 146.97 28.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 44.15 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -105.63 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -94.33 137.84 22.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.459 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 53.5 Cg_endo -69.82 161.1 47.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.286 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 87' ' ' PRO . 3.1 p-10 43.47 35.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 m -137.86 138.83 39.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.443 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 62.6 ttp -113.9 149.29 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -135.74 -179.65 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' A' ' 109' ' ' THR . 3.0 pt-20 -111.23 125.42 53.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.7 m-85 -112.1 154.36 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -153.4 170.33 20.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.5 t -139.36 154.74 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 25.1 ptm -154.04 -176.3 5.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.5 p -146.84 142.37 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.5 m -120.85 94.93 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -126.47 150.24 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 72.87 37.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 58.56 25.18 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.03 149.77 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -101.3 136.85 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.521 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 16.4 t -88.01 -178.15 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.5 t -88.9 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.601 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 56.2 m95 -79.85 138.64 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' MET . 64.6 p -77.85 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.827 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' SER . 7.9 ptm -35.94 121.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 92' ' ' GLU . 9.8 m -73.8 128.5 35.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.97 163.0 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -123.39 157.15 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . . . -172.93 117.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.422 ' CB ' ' HB2' ' A' ' 90' ' ' MET . 1.2 m -90.0 148.24 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -93.13 149.34 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -61.5 136.29 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.72 123.36 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.53 -41.78 70.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 t -97.46 99.92 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 116.64 105.34 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.99 67.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.1 t -95.43 102.84 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.2 p -115.36 117.83 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -173.37 159.16 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -172.54 173.6 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.09 -84.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t 53.13 46.81 25.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -57.21 169.46 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.56 -140.82 2.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.433 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -85.59 143.48 38.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.95 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.303 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.7 m -145.4 119.54 9.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 p -43.78 149.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 1.2 t -107.87 135.49 19.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 14' ' ' ASP . 53.3 Cg_endo -69.78 4.59 2.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' PRO . 7.8 p-10 -34.05 117.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -99.55 169.02 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -94.79 -36.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -48.18 145.84 4.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HG2' ' NE ' ' A' ' 102' ' ' ARG . 53.9 Cg_endo -69.81 4.2 2.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.433 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 12.7 mtp -116.71 179.31 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.57 111.58 6.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -177.79 2.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 m -150.52 -175.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.39 31.14 34.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HB ' ' SD ' ' A' ' 108' ' ' MET . 2.9 t -66.63 116.04 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -117.48 125.42 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 100.87 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.55 134.84 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.18 114.81 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -84.89 -51.73 6.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.444 HG21 ' N ' ' A' ' 34' ' ' ALA . 2.2 t -148.65 176.15 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 17.5 p-80 -49.19 -38.1 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.564 ' OD2' ' CD2' ' A' ' 32' ' ' HIS . 2.5 p30 -119.25 41.95 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' N ' HG21 ' A' ' 31' ' ' THR . . . -153.74 148.17 26.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 t -159.72 114.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -87.2 103.74 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.404 HG21 ' CD2' ' A' ' 93' ' ' PHE . 43.8 t -92.51 110.65 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.0 p -120.92 138.15 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.517 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 44.7 p90 -131.93 -178.56 4.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.32 149.5 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -95.23 132.21 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -119.71 -22.18 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -88.54 30.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 t -129.47 88.9 48.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.52 49.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.44 147.1 52.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.3 m120 45.1 52.6 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -44.62 109.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.95 -56.85 10.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.0 p -86.22 108.64 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.0 p -75.75 81.47 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -101.83 114.82 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' C ' ' HG3' ' A' ' 54' ' ' ARG . 9.3 p -77.48 151.13 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.585 ' N ' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.61 -175.01 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.5 tp -138.75 136.18 35.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -108.74 126.12 52.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.7 m -110.63 147.81 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -132.31 112.56 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 71' ' ' LYS . 5.1 ptp180 -112.3 152.34 28.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -151.51 130.92 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.573 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.6 tmm_? -136.36 140.12 43.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 p -39.16 140.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -93.67 123.4 36.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 72.14 39.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -120.89 137.25 54.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.04 -72.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -83.39 113.11 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.39 163.86 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.1 37.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 4.5 m-85 -89.74 118.58 29.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 6.7 tttp -100.56 148.99 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.8 p -161.43 161.23 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -143.58 151.97 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.66 124.06 37.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.7 t -138.31 147.75 43.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.6 p -101.4 21.04 14.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 p -119.06 178.33 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 96.5 mt -101.92 15.38 29.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.7 p -150.67 138.26 19.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -138.1 141.6 40.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.4 m -102.34 114.86 29.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.98 99.13 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.1 p -102.13 153.34 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 50.17 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.64 165.13 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -75.18 132.86 75.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.78 156.35 63.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 12.6 p30 46.51 40.37 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.5 m -143.57 136.68 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.504 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 59.5 ttp -106.74 151.64 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -138.69 -177.86 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.476 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 5.6 tt0 -101.77 128.64 48.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.404 ' CD2' HG21 ' A' ' 37' ' ' VAL . 78.4 m-85 -120.19 142.03 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.7 p -154.38 179.83 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.4 t -146.69 156.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.578 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 7.6 ptm -149.01 -176.43 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 2.6 p -147.99 146.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -121.34 99.2 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -123.37 150.95 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.34 36.57 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 60.24 26.19 15.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.2 ptt-85 -140.48 147.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -103.33 130.41 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 20.9 p -85.4 -175.6 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.822 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -80.9 162.68 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.578 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 73.8 m95 -83.33 148.04 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.8 p -75.03 -174.57 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.406 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -53.89 154.07 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.476 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 63.8 m -89.02 126.66 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.78 114.95 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -87.74 139.03 30.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.86 110.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -79.61 150.76 30.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.9 p -89.42 160.5 16.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -70.19 147.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.52 113.72 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.33 175.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.5 p -50.92 147.22 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.25 176.3 20.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.7 Cg_endo -69.76 3.49 2.74 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 120' ' ' PRO . 28.6 m -33.62 122.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.0 t -34.67 134.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -76.04 168.8 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.4 p 40.97 43.91 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.08 62.42 0.6 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -73.99 156.08 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -142.62 114.17 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.06 141.55 10.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 44.7 t80 -125.66 136.79 28.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 53.9 Cg_endo -69.76 132.15 22.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.737 2.291 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.9 p -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -126.0 122.0 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.08 120.46 29.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 106.58 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -148.08 114.48 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mp -139.16 152.05 47.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -76.62 -45.95 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.2 p -42.61 148.12 0.57 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.729 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.59 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.479 ' CE ' HG21 ' A' ' 97' ' ' VAL . 79.2 mmm -124.44 151.87 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' OG ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -131.73 116.4 15.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 163.35 38.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.404 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.81 177.87 5.17 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.51 -176.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 32.46 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.35 111.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -117.55 146.94 43.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -118.14 99.95 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.5 t -91.62 132.92 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.43 116.0 28.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.8 -53.49 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 34' ' ' ALA . 1.1 t -148.42 172.67 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 26.6 p-80 -41.12 -48.84 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.51 ' OD2' ' CD2' ' A' ' 32' ' ' HIS . 1.1 p30 -113.37 42.14 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 31' ' ' THR . . . -153.35 127.19 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -139.91 113.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' VAL . 6.8 tpt180 -87.21 93.15 9.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 93' ' ' PHE . 84.6 t -84.78 109.57 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.93 152.99 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.446 ' CE2' ' HA ' ' A' ' 78' ' ' LEU . 35.6 p90 -144.23 -178.61 6.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.87 152.49 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -107.16 103.3 12.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -106.43 -19.82 13.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' OG ' ' CD1' ' A' ' 20' ' ' LEU . 5.8 m -87.23 53.8 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.73 122.22 18.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.34 14.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.83 -27.48 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.458 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 24.0 m-80 -144.38 122.93 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -98.03 86.48 3.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -113.84 41.6 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.5 153.99 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.2 p -55.56 -61.45 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -103.79 154.7 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -95.67 123.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HA ' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -46.99 123.48 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.2 tp -91.21 130.34 37.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -98.51 128.62 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 58' ' ' VAL . 90.5 m -108.19 142.69 38.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' N ' HG21 ' A' ' 57' ' ' THR . 16.8 t -115.92 121.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 2.4 ptp180 -127.39 149.85 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.489 ' CB ' ' O ' ' A' ' 92' ' ' GLU . 37.4 p90 -159.11 154.75 26.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.577 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ttp180 -152.77 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 65' ' ' SER . 3.2 p -50.04 127.71 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m -70.53 138.49 51.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 49.77 40.18 19.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' OG1' ' A' ' 62' ' ' THR . 0.9 OUTLIER -101.59 -179.37 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.33 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m 41.64 35.82 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' A' ' 61' ' ' ARG . . . -90.24 169.39 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -124.13 141.41 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.577 ' CE1' ' HD3' ' A' ' 61' ' ' ARG . 3.4 m-85 -91.26 134.23 34.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -88.72 174.48 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 p -161.23 134.58 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -138.8 154.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.09 121.57 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 t -140.35 132.38 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -93.57 29.8 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -132.11 172.86 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.446 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 10.6 mt -96.67 24.0 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 p -156.95 131.45 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.89 150.27 49.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -112.15 99.53 8.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.7 103.69 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -103.56 152.52 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.94 48.61 6.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 91' ' ' TYR . 1.3 mt -110.48 171.3 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.81 132.61 48.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.77 153.25 69.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.6 p30 48.54 33.44 4.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 91' ' ' TYR . 77.2 m -139.93 128.04 22.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -98.67 145.42 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 89' ' ' THR . 0.0 OUTLIER -131.5 -173.41 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 60' ' ' TRP . 11.8 mt-10 -100.23 143.49 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 37' ' ' VAL . 89.4 m-85 -133.7 139.76 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t -152.52 178.8 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 96' ' ' MET . 28.3 t -151.89 154.92 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.5 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -154.02 -176.37 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.479 HG21 ' CE ' ' A' ' 19' ' ' MET . 4.7 p -137.72 145.86 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -129.85 97.03 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -126.92 154.76 44.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 4.9 m-20 66.77 41.52 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 50.03 42.18 24.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -158.14 139.18 13.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.406 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 92.2 p -89.39 147.91 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 12.9 p -105.69 -174.35 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -84.85 165.26 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.566 ' CZ3' ' HG2' ' A' ' 59' ' ' ARG . 78.1 m95 -91.88 172.03 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.1 t -112.36 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 ptm -38.86 142.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.7 m -84.14 151.1 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.04 36.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -91.69 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . . . -163.81 105.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -72.61 146.13 46.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -86.77 153.93 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -64.04 140.28 58.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 117' ' ' ALA . 17.7 tt0 -62.93 107.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 116' ' ' GLU . . . -37.7 -46.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -109.76 86.04 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 112.8 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.9 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.3 t -38.41 132.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 p -61.35 179.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -105.75 99.3 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -92.01 -43.62 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.6 101.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -130.63 117.59 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -141.17 172.79 12.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.03 -118.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -128.33 109.23 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.724 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -172.78 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.21 . . . . 0.0 112.316 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -63.26 130.15 43.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -74.78 -76.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.84 143.24 30.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.51 16.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.268 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -114.19 157.14 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.1 154.54 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -94.66 79.01 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -131.6 147.19 65.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.1 2.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 69.8 mmm -93.97 162.8 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.45 107.16 7.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 169.57 18.49 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 107' ' ' SER . 53.0 Cg_endo -69.84 173.62 10.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.87 -176.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.64 60.77 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -82.79 111.45 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -112.02 140.52 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . . . -114.36 105.47 13.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.4 t -94.67 134.37 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.85 109.84 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.9 -55.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -146.48 176.12 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -44.13 -46.85 8.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -114.86 42.08 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' CB ' HG23 ' A' ' 31' ' ' THR . . . -152.65 130.63 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 t -141.73 113.92 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 28' ' ' VAL . 6.5 tpp85 -86.66 103.85 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.22 111.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.0 p -120.9 133.12 55.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.452 ' CE2' HG12 ' A' ' 95' ' ' VAL . 35.0 p90 -129.46 178.3 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.0 166.74 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -122.49 134.07 54.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' VAL . 32.3 m-20 -129.84 -52.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' ASN . 60.4 p -35.98 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' ASN . 14.0 p -70.24 129.87 90.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.88 36.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -47.82 -42.08 25.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -130.44 130.79 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -97.87 56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -19.26 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 p -90.13 151.15 21.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -106.89 82.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 126.04 54.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 t -80.48 140.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.88 149.24 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 tp -125.82 139.89 53.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.67 132.33 54.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -112.09 153.98 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.03 123.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CE2' ' A' ' 70' ' ' TYR . 3.7 ptm180 -122.24 167.35 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 44.5 p90 -167.72 140.65 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.597 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 6.8 ttp85 -137.95 145.41 41.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.467 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -47.43 133.77 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -89.82 130.48 36.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 67.34 33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 -174.91 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.87 161.39 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 m 52.57 41.34 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.38 147.15 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -95.1 140.1 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 6.3 m-85 -86.52 108.69 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -79.61 157.71 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -156.0 149.58 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -146.91 138.65 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -91.79 117.28 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 t -133.58 145.6 50.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -97.44 8.86 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -108.41 167.67 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD22 ' NE1' ' A' ' 39' ' ' TRP . 68.9 mt -92.52 19.9 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -154.45 131.53 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 81' ' ' THR . 10.0 t80 -128.69 140.85 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 2.7 m -98.13 125.72 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.19 98.29 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 p -100.7 157.16 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.01 48.8 18.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mt -109.25 -177.88 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.368 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttpt -99.19 136.95 20.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.32 57.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 44.06 26.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 m -130.52 125.28 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HB2' ' CG2' ' A' ' 113' ' ' THR . 14.1 tmm? -102.99 153.12 20.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -140.67 -175.41 4.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 92' ' ' GLU . 3.1 pt-20 -112.22 125.6 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.461 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 18.8 m-85 -112.47 156.98 21.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.6 p -154.18 169.19 24.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.452 HG12 ' CE2' ' A' ' 39' ' ' TRP . 47.3 t -139.9 144.42 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.588 ' CG ' ' CZ3' ' A' ' 106' ' ' TRP . 5.0 ppp? -141.55 -175.46 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.08 143.62 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 93.6 m -124.21 98.42 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -126.05 144.27 50.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 14.8 t-20 73.55 49.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 7.9 ptm180 44.78 34.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.7 ptm85 -150.74 153.43 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 m -109.82 147.28 33.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 54.2 p -106.8 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.0 t -77.41 159.3 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.588 ' CZ3' ' CG ' ' A' ' 96' ' ' MET . 62.3 m95 -84.43 143.71 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 22' ' ' PRO . 94.7 p -72.37 177.89 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.3 ptm -47.39 123.14 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 93' ' ' PHE . 29.2 m -74.44 135.75 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.66 170.02 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -128.18 153.07 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 27' ' ' ALA . . . -168.33 116.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 90' ' ' MET . 2.0 m -84.28 155.27 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.0 p -99.84 157.33 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.8 133.15 45.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -52.04 127.2 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.4 149.57 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.2 t 65.39 40.5 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.96 122.0 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 173.79 10.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.288 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.3 p -97.39 -45.85 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.2 t -111.16 95.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -81.52 172.79 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -101.66 -49.46 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.15 105.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -77.07 150.04 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.2 p -171.97 161.7 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.95 -166.73 27.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.68 97.93 26.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.44 2.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.298 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -101.08 142.38 32.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -86.56 90.42 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.22 133.53 22.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.91 32.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -144.96 106.69 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.01 139.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.4 p 50.01 42.72 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -129.97 155.66 80.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.3 Cg_endo -69.8 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' PRO . 79.6 mmm -36.03 143.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -109.98 116.39 53.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.74 18.18 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.733 2.289 . . . . 0.0 112.324 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -145.95 -178.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.99 27.54 3.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.28 108.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -114.56 137.16 52.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.64 99.13 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ARG . 31.5 t -85.44 135.63 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.41 111.11 23.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mt -80.25 -52.01 8.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 34' ' ' ALA . 1.5 t -149.11 176.21 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 33.5 p-80 -46.13 -43.25 14.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.445 ' OD1' ' NE2' ' A' ' 32' ' ' HIS . 16.3 p-10 -116.49 41.13 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' N ' HG22 ' A' ' 31' ' ' THR . . . -153.67 131.95 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -143.65 115.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' VAL . 6.0 tpp85 -88.94 105.24 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.11 106.56 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.1 p -116.87 126.54 53.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.515 ' CE2' HG11 ' A' ' 95' ' ' VAL . 35.1 p90 -125.93 171.59 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.99 151.03 29.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -101.84 120.06 39.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 44' ' ' VAL . 20.2 m-20 -110.33 -44.9 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 70.1 p -34.29 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' ASN . 25.8 m -70.55 143.43 90.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 176.45 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -52.67 -44.87 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -124.57 133.29 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.24 110.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -99.5 -45.48 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.2 p -116.84 102.69 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -107.51 149.45 27.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' VAL . 1.3 mp0 -62.81 132.99 54.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLU . 84.6 t -34.91 133.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' N ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -141.22 173.19 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' CD1' ' C ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.98 140.15 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 55' ' ' LEU . 8.8 m-85 -116.42 122.4 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.434 HG21 ' N ' ' A' ' 58' ' ' VAL . 58.9 m -92.37 156.17 17.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' N ' HG21 ' A' ' 57' ' ' THR . 23.1 t -139.68 126.59 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HD3' ' CH2' ' A' ' 106' ' ' TRP . 30.4 ptt85 -132.13 158.8 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.3 p90 -163.36 134.94 4.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.603 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -141.31 146.43 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.15 140.46 2.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -83.45 113.47 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 71.86 54.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.59 -175.36 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.56 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 m 55.82 46.33 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . . . -107.97 110.36 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.507 ' O ' ' CZ ' ' A' ' 61' ' ' ARG . 9.0 mmmm -66.65 116.22 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m-85 -64.85 138.07 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 8.1 tttp -98.45 151.81 20.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -150.55 134.39 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -134.34 146.32 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.81 119.67 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -133.67 125.9 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.6 p -83.3 25.15 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -131.2 169.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.8 mt -94.69 27.98 2.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.2 p -157.69 134.1 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.536 ' CE1' ' CH2' ' A' ' 60' ' ' TRP . 32.4 t80 -138.67 140.07 38.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -99.77 113.19 25.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.41 97.56 10.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -103.36 149.11 25.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.55 46.81 5.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.68 -175.81 2.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.2 ttpp -97.58 133.22 23.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.14 62.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.466 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 2.1 t-20 55.55 32.94 20.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -139.51 126.47 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.42 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 11.4 tmm? -100.48 153.12 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.29 178.06 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.3 tt0 -101.16 125.27 47.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.0 150.75 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -153.97 158.47 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.515 HG11 ' CE2' ' A' ' 39' ' ' TRP . 61.0 t -139.62 146.72 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.513 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -143.74 -175.09 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.8 p -141.26 140.83 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 99.2 m -122.62 94.86 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -124.75 152.21 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 71.72 36.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.3 31.44 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -147.79 154.46 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.6 p -103.76 141.64 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 p -99.29 -175.71 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -82.77 165.17 20.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.513 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.8 m95 -84.25 166.18 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 108' ' ' MET . 15.8 t -107.86 170.38 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.449 ' N ' ' HG ' ' A' ' 107' ' ' SER . 5.2 ptm -39.75 139.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.455 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 2.9 m -79.34 150.18 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.57 119.39 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -92.56 126.32 37.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.94 111.32 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -80.69 147.97 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -86.49 161.13 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -75.23 141.68 43.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.466 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 17.2 tt0 -63.29 112.07 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.08 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 12.7 t -71.98 -51.05 23.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.24 116.11 8.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -177.23 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -93.68 167.23 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.4 p -170.34 165.06 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -82.52 147.64 28.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.829 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -138.15 179.38 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -167.16 15.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -168.25 144.68 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -117.68 -49.58 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.94 71.32 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -127.75 126.14 23.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 1.84 4.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -39.85 146.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -70.71 174.82 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.33 145.97 31.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 124.81 11.45 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.57 44.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.2 mt -109.2 113.87 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 t -87.65 43.01 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -104.11 150.77 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 4.43 2.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.518 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 71.7 mmm -130.06 -175.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.54 112.55 1.35 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.482 ' HG3' ' CG2' ' A' ' 105' ' ' THR . 53.0 Cg_endo -69.78 171.18 14.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.81 178.59 4.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.535 ' CG2' ' ND2' ' A' ' 42' ' ' ASN . 32.7 m -143.08 -178.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.2 41.52 30.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 t -66.0 115.85 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -116.9 134.95 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.22 101.86 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' ARG . 23.2 t -93.88 135.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.0 114.12 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.6 mt -84.52 -52.31 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 34' ' ' ALA . 2.5 t -147.43 176.1 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -50.35 -37.42 36.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -119.37 41.96 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 31' ' ' THR . . . -156.47 143.77 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 t -152.44 117.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' VAL . 5.4 tpp85 -90.79 107.8 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.3 t -94.54 105.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -114.12 126.11 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.532 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 39.0 p90 -120.72 -175.65 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.29 167.46 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -121.27 124.88 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.535 ' ND2' ' CG2' ' A' ' 23' ' ' VAL . 1.8 m-80 -107.27 -41.96 4.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -46.94 -21.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.04 112.55 61.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -90.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.604 2.203 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASN . 17.7 ptmt -162.47 156.01 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.5 m120 37.98 48.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -126.46 85.74 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' N ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -77.16 80.65 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.3 p -65.66 120.02 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 t -55.88 -45.71 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -66.56 151.65 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -123.99 158.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.15 176.84 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 56' ' ' TYR . 2.6 tp -129.21 145.47 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.412 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 m-85 -111.27 125.73 54.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.402 ' C ' HG21 ' A' ' 58' ' ' VAL . 6.7 m -103.73 148.83 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.402 HG21 ' C ' ' A' ' 57' ' ' THR . 14.0 t -133.27 125.6 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 70' ' ' TYR . 2.9 ptp180 -127.07 146.44 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 34.8 p90 -151.81 126.06 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.9 tmt_? -130.58 140.61 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.51 131.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.2 t -82.8 125.45 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 60.79 52.26 4.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -130.45 165.15 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.35 149.81 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t 61.83 48.88 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.05 166.88 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -122.27 142.05 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.472 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 8.0 m-85 -82.48 129.82 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -91.99 158.76 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -153.79 139.55 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -144.13 148.18 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.81 122.5 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 t -134.61 133.71 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.5 p -91.31 25.44 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.1 m -134.31 173.76 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 17.2 mt -94.37 24.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -152.52 141.31 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 137.06 28.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.7 m -99.27 108.31 20.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.82 98.91 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.1 p -100.59 147.87 25.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.08 48.46 4.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.1 mt -110.28 178.37 4.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -97.59 136.78 21.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.411 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.74 158.8 55.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 15.6 p30 46.55 35.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -143.19 127.56 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -104.29 152.97 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 -175.43 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.7 OUTLIER -113.0 126.13 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -113.22 150.22 32.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.68 170.8 18.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 96' ' ' MET . 17.2 t -142.68 153.03 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.567 ' HG2' ' CE3' ' A' ' 106' ' ' TRP . 9.9 ptm -149.32 -175.05 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.83 146.59 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -128.69 101.81 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 27.1 ttmt -121.32 155.85 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.429 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.3 m120 59.05 30.5 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 6.8 mmp_? 63.99 25.45 13.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -138.26 148.49 44.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -97.52 149.07 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 78.4 p -96.71 -82.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.482 ' CG2' ' HG3' ' A' ' 21' ' ' PRO . 12.3 t -176.19 170.81 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.567 ' CE3' ' HG2' ' A' ' 96' ' ' MET . 76.1 m95 -93.11 140.53 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.8 p -79.4 -178.19 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.8 ptm -48.33 122.34 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 92' ' ' GLU . 53.6 m -74.69 141.73 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.23 170.55 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -135.18 135.18 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.99 121.76 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.4 150.01 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.6 p -92.8 146.79 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -57.43 139.32 53.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.08 106.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -38.01 155.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.2 t -115.78 102.33 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -159.08 -75.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.6 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t 46.11 33.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.8 t -92.54 -47.09 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -160.63 146.6 14.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -124.57 -51.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.62 157.56 30.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -117.65 164.69 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -69.93 159.5 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.42 107.78 1.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.432 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.556 ' CD2' ' O ' ' A' ' 8' ' ' PHE . 29.6 p90 -124.56 97.77 38.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.25 22.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.36 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.8 p -53.4 153.76 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER 63.02 51.95 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' SER . 2.4 p -36.28 119.93 0.72 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.39 30.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.1 m-20 -104.54 87.61 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 14' ' ' ASP . 5.0 mp -141.13 123.89 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.1 m -77.31 127.51 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -135.04 146.08 57.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.68 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' MET . 54.2 Cg_endo -69.7 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' PRO . 17.0 mtp -34.7 149.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -102.27 107.91 55.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.75 15.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.91 175.63 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.65 30.32 27.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.31 106.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -110.25 141.4 43.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -116.35 99.11 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ARG . 38.2 t -91.89 137.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 113.39 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 81' ' ' THR . 7.8 mt -78.16 -52.55 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 34' ' ' ALA . 2.8 t -146.68 176.58 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -49.49 -37.61 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -118.37 42.16 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 31' ' ' THR . . . -156.14 145.72 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 t -154.45 114.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' VAL . 11.1 tpp180 -91.69 100.61 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.54 HG21 ' CD2' ' A' ' 93' ' ' PHE . 99.8 t -87.52 112.34 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -119.37 132.83 55.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.507 ' CD2' HG22 ' A' ' 95' ' ' VAL . 36.7 p90 -130.39 -177.56 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.92 141.97 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 10.8 p-10 -104.84 108.89 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -99.79 29.15 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -110.34 21.0 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.7 p -143.98 134.52 12.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 156.49 63.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -48.34 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -98.72 118.95 36.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -171.73 142.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -49.34 176.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.36 130.55 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -74.77 174.41 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 99' ' ' LYS . 5.2 tp10 -69.9 153.51 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.33 141.86 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.13 -179.56 8.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tp -147.9 134.25 19.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.86 125.98 51.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -104.36 146.84 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.94 121.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -122.03 151.61 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.608 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 42.0 p90 -160.62 145.91 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -163.36 154.65 16.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 15.9 p -40.41 120.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.439 ' OG ' ' CE2' ' A' ' 64' ' ' PHE . 48.0 t -80.68 114.14 19.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' OG ' ' A' ' 63' ' ' SER . 22.5 m-85 69.37 54.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -128.94 168.91 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -60.09 178.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ALA . 38.6 t -37.86 100.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.94 156.43 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -100.84 127.25 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 61' ' ' ARG . 10.5 m-85 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.608 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 11.6 ttmm -81.28 158.59 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.8 p -149.56 132.97 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -141.91 135.83 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.08 141.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -155.22 133.66 11.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.3 p -96.57 35.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.9 m -140.62 165.76 26.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.0 mt -92.33 27.65 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 p -160.33 128.82 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -131.38 140.7 49.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 30' ' ' LEU . 17.6 m -107.88 107.33 18.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.95 98.86 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.9 p -97.64 154.83 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.9 52.91 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mt -113.17 175.77 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -86.91 134.97 35.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.459 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.4 Cg_endo -69.81 149.59 66.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 11.4 p30 50.78 35.03 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -136.47 126.29 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.453 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 12.6 tmm? -100.22 148.54 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.2 -173.1 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -100.35 140.98 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.54 ' CD2' HG21 ' A' ' 37' ' ' VAL . 77.9 m-85 -132.5 138.53 47.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.422 ' C ' HG21 ' A' ' 95' ' ' VAL . 1.4 t -153.43 172.22 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 39' ' ' TRP . 59.9 t -145.0 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.592 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 13.6 ptm -148.48 -178.5 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.455 HG21 ' N ' ' A' ' 98' ' ' THR . 5.5 p -147.31 136.59 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.455 ' N ' HG21 ' A' ' 97' ' ' VAL . 96.7 m -114.93 97.86 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 6.6 ttmm -126.09 154.92 42.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.33 42.29 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 10.1 tpp180 52.37 44.46 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -162.41 148.26 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 p -101.85 139.85 36.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 19' ' ' MET . 7.0 p -86.84 -174.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -90.22 165.68 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 68.8 m95 -87.41 133.76 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -78.33 172.94 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.805 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 ptm -41.43 138.16 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.7 m -80.94 136.83 36.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.66 117.46 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.453 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 3.4 m-70 -89.15 131.7 35.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . . . -150.04 114.4 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -84.83 142.59 29.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.4 p -82.31 165.18 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -76.23 147.87 38.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.48 108.45 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -36.89 150.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -79.55 -50.53 10.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.59 38.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.9 19.7 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.2 m -106.01 135.89 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.8 p -68.95 -26.1 64.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -139.63 163.01 33.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -169.23 148.05 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.75 163.51 11.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -144.98 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -100.23 -54.96 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . 63.68 165.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 40.4 m-85 -166.79 110.7 0.67 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 165.58 30.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.3 m -97.67 127.01 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -126.76 -179.25 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 50.2 t 62.53 54.94 2.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.81 134.59 28.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.13 134.73 53.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -138.36 123.21 18.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.1 m -112.43 41.35 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 p -157.31 152.27 21.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.722 . . . . 0.0 111.136 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.448 ' CE ' HG13 ' A' ' 97' ' ' VAL . 91.9 mmm -96.09 152.05 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.94 118.68 16.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.5 41.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.2 Cg_endo -69.78 172.97 11.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.751 2.301 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.0 -178.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.99 34.8 16.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -64.94 124.9 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.54 132.39 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.02 99.39 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' ARG . 57.6 t -91.4 139.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.51 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD13 ' NH1' ' A' ' 36' ' ' ARG . 12.8 mt -77.78 -53.24 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.416 HG23 ' CB ' ' A' ' 34' ' ' ALA . 5.9 t -147.92 176.29 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -53.3 -28.44 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -125.22 41.58 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' CB ' HG23 ' A' ' 31' ' ' THR . . . -160.1 146.37 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -153.51 119.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -92.4 105.48 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG22 ' CD2' ' A' ' 93' ' ' PHE . 58.9 t -93.31 105.55 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 p -112.24 131.4 55.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.408 ' CE3' HG22 ' A' ' 95' ' ' VAL . 48.9 p90 -130.76 -179.89 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.46 162.33 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.41 97.51 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -111.31 33.15 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.8 t -114.27 25.56 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.3 129.58 6.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -77.48 -41.46 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -132.31 124.45 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.542 ' H ' ' NE2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -145.97 144.03 29.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -82.52 -58.79 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p -72.93 134.0 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -122.62 91.36 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.16 126.7 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.54 149.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -139.82 134.04 31.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.6 tp -113.26 141.6 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -114.51 131.55 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 58' ' ' VAL . 25.9 m -111.84 146.56 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.466 ' N ' HG23 ' A' ' 57' ' ' THR . 58.1 t -124.37 128.64 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.583 ' HD2' ' CZ2' ' A' ' 106' ' ' TRP . 6.6 ptm180 -128.26 140.03 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 40.2 p90 -147.82 130.1 15.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 2.5 tmm_? -136.63 142.71 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 19.2 p -39.55 145.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.7 p -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 61.1 42.85 11.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -94.52 163.1 13.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.38 -54.86 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.5 p -144.96 109.68 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.29 155.18 34.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.08 159.34 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 11.3 m-85 -93.78 136.4 34.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 23.3 tttt -91.5 161.11 15.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.447 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 69.3 p -155.2 134.24 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 72' ' ' SER . 6.2 mp0 -139.97 133.62 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -89.03 121.31 31.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 t -145.56 144.93 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.6 p -90.69 -31.08 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.0 m -65.16 155.18 35.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.29 31.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 p -161.03 129.55 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -127.72 144.45 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.3 m -108.75 113.9 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 96.13 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.8 p -95.78 150.85 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.0 49.59 5.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 mt -110.1 172.74 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -88.85 136.01 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 110.904 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.8 Cg_endo -69.72 154.44 67.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.4 p30 48.78 31.97 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 m -135.48 127.68 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.423 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 66.7 ttp -102.13 153.38 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.5 176.27 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.3 tt0 -100.81 125.11 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.428 ' CD2' HG22 ' A' ' 37' ' ' VAL . 41.6 m-85 -111.38 147.3 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -154.33 151.04 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 39.3 t -125.82 144.51 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.581 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 22.3 ptm -142.42 -177.9 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.448 HG13 ' CE ' ' A' ' 19' ' ' MET . 3.1 p -136.93 141.39 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -129.14 95.58 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -126.07 153.22 44.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.46 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.9 m-20 68.61 38.39 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 54.3 38.93 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -154.06 141.9 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.429 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 3.6 p -101.11 144.22 30.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.7 t -76.51 163.05 27.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 78.6 m95 -89.26 143.42 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.9 p -70.55 -174.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.69 155.88 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 18.8 m -85.87 135.16 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.66 113.78 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -88.09 138.81 31.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.44 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -76.01 152.27 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 p -90.42 169.42 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.71 107.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 87' ' ' PRO . . . -40.49 155.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.3 t -170.28 170.72 7.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.72 120.9 4.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -2.45 10.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.25 155.71 36.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.7 t -141.76 151.94 43.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -84.83 -49.6 8.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t 67.4 42.29 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.22 155.29 30.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -113.68 -59.67 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -163.92 173.23 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.26 108.04 1.97 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -129.27 127.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 148.48 64.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 67.33 45.65 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -68.04 161.04 27.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -44.53 143.78 1.97 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.53 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.07 42.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.6 mt 38.94 39.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 t -65.69 -42.48 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.5 p -41.38 149.09 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 5.27 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.506 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 48.5 mmm -112.11 178.09 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.32 115.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HG3' ' CG2' ' A' ' 105' ' ' THR . 53.8 Cg_endo -69.77 171.16 14.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.71 179.83 3.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.91 -177.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.32 50.83 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.23 120.94 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -123.47 125.17 44.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . . . -102.96 100.62 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 40.5 t -88.41 135.15 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.49 110.18 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -81.01 -53.52 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 34' ' ' ALA . 1.9 t -148.27 176.2 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -47.69 -43.84 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -114.28 41.62 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 31' ' ' THR . . . -154.47 141.07 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.9 t -153.54 119.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' VAL . 3.8 tpt180 -94.27 94.69 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' CG2' ' CD2' ' A' ' 93' ' ' PHE . 92.9 t -85.75 105.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -113.12 154.58 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.463 ' CE2' HG13 ' A' ' 95' ' ' VAL . 49.6 p90 -148.95 -175.11 4.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.5 156.58 41.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -113.46 126.68 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' VAL . 1.8 m-80 -114.07 -48.39 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' ASN . 42.3 t -35.96 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ASN . 7.1 p -53.13 120.0 18.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.65 40.63 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 47' ' ' ASN . 15.8 pttp -62.32 -45.86 91.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 4.7 p-10 -97.22 44.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.43 ' OE1' ' C ' ' A' ' 48' ' ' GLN . 1.7 tm0? -39.67 122.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -105.04 -57.45 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 p -94.93 129.55 41.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.413 ' HA ' ' NE2' ' A' ' 48' ' ' GLN . 6.9 t -78.82 80.17 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.78 135.12 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.4 p -89.29 168.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.16 171.93 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 56' ' ' TYR . 1.6 tp -136.27 147.52 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.444 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.2 m-85 -112.41 125.43 54.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.3 m -106.37 148.73 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.7 117.26 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 1.0 OUTLIER -114.94 144.35 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.45 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p90 -153.37 156.74 38.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.572 ' HG2' ' CE1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -172.27 152.02 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.503 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 3.3 p -34.6 135.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -95.47 122.06 37.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 71.13 46.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -136.69 145.96 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.6 157.78 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t 60.17 52.61 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.85 156.91 43.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.39 150.01 27.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 5.6 m-85 -95.34 110.99 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 44.5 tttt -75.99 165.24 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.921 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -159.53 138.67 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -137.8 148.74 45.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CG ' HD21 ' A' ' 55' ' ' LEU . 78.3 m-20 -106.39 126.72 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.98 145.96 44.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -97.3 13.95 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 m -120.28 166.87 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD22 ' NE1' ' A' ' 39' ' ' TRP . 18.8 mt -90.34 30.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -164.81 129.92 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -123.02 143.91 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -108.5 104.69 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.61 98.63 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.1 p -98.81 141.78 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.07 49.05 4.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.95 179.11 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -93.59 136.0 24.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.451 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.77 153.6 68.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 2.7 p-10 47.31 34.86 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 m -138.81 124.72 19.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 91' ' ' TYR . 41.2 ttp -100.05 153.0 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.426 ' N ' ' HG2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.13 -178.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.433 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 1.9 tt0 -103.29 125.43 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.429 ' CD2' ' CG2' ' A' ' 37' ' ' VAL . 59.5 m-85 -115.39 141.14 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.94 158.28 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 23.5 t -128.53 155.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.487 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 11.7 ptm -149.13 -177.33 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -136.12 145.68 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.4 m -130.26 115.15 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -126.38 164.84 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 43.97 32.97 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.4 ttt180 62.84 42.7 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -147.64 152.81 38.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 p -103.13 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.506 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 80.5 p -93.2 -82.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.493 ' CG2' ' HG3' ' A' ' 21' ' ' PRO . 7.1 t -176.72 170.91 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.487 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 60.9 m95 -94.02 147.13 23.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.2 p -91.01 -175.87 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 20.9 ptm -44.66 135.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.433 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 6.9 m -79.9 141.96 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.98 123.21 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -94.04 132.81 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.455 ' HB3' ' CB ' ' A' ' 27' ' ' ALA . . . -156.79 112.52 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.1 m -84.07 146.17 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -87.45 151.08 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -64.89 131.5 46.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.82 126.72 16.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.19 144.74 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 t -94.0 108.53 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -115.37 -94.72 1.96 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -27.91 26.02 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.4 t -92.48 146.03 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -162.26 120.82 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -101.64 167.83 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -72.22 -59.49 2.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.01 138.37 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 p -137.17 159.53 41.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -85.91 40.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.92 -168.42 8.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -114.61 78.59 5.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.699 0.762 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' THR . 54.1 Cg_endo -69.8 174.38 9.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PRO . 71.4 p 35.24 53.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -125.42 31.23 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 16.4 t -130.46 137.04 29.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.79 169.03 19.91 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.35 55.05 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.53 -56.45 15.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -118.1 -45.98 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.3 p -139.87 151.94 66.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 84.3 mmm -148.24 170.4 17.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.98 105.19 8.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.16 15.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 177.49 5.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 m -134.99 -54.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.05 45.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.4 92.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -103.31 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.92 101.35 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . 61.9 t -91.54 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.21 111.21 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mt -76.03 -55.8 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 34' ' ' ALA . 5.2 t -147.37 177.05 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -44.5 -45.08 9.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -115.3 44.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB2' ' CG2' ' A' ' 31' ' ' THR . . . -157.03 132.81 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.88 114.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' VAL . 14.7 tpp85 -88.92 102.39 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 HG23 ' CD2' ' A' ' 93' ' ' PHE . 48.4 t -88.99 113.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.4 p -120.73 132.03 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.57 ' CD1' HG13 ' A' ' 95' ' ' VAL . 39.3 p90 -126.9 173.03 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.79 136.3 54.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -87.64 130.83 34.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.1 t-20 -102.35 -43.45 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' ASN . 7.8 t -33.76 -37.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' ASN . 12.2 p -86.24 122.62 72.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.77 172.85 11.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -33.68 -56.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -137.99 121.23 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -174.22 141.24 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -117.45 118.18 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p -112.3 129.9 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -98.2 41.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -115.0 116.54 28.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.08 153.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -160.98 165.27 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tp -148.3 144.64 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -117.32 133.69 55.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.4 m -109.22 145.15 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.4 t -126.6 123.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HD3' ' CH2' ' A' ' 106' ' ' TRP . 37.6 ptt85 -126.64 144.56 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 38.8 p90 -150.9 131.23 13.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -133.42 144.26 49.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 p -44.09 130.33 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -87.26 132.85 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 61.15 36.72 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -115.38 159.57 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -63.8 175.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' ALA . 45.4 m -38.21 97.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HD3' ' A' ' 61' ' ' ARG . . . -123.56 144.19 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 161.85 30.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 7.2 m-85 -108.19 140.04 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 11.7 tttp -96.42 157.31 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -157.29 139.87 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.86 170.4 15.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.49 125.43 47.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 138.57 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 p -93.61 30.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.5 m -140.4 161.88 36.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.68 34.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.8 p -163.49 137.44 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -137.22 143.07 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 m -104.29 114.99 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.46 92.79 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -95.52 150.23 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.48 50.87 5.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mt -111.54 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -82.04 131.49 56.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.464 ' CB ' ' HB1' ' A' ' 117' ' ' ALA . 54.4 Cg_endo -69.7 154.41 67.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 20.1 p30 48.76 31.11 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.13 138.14 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.441 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 55.8 ttp -111.77 151.61 28.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -141.93 176.13 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 3.6 pt-20 -101.76 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.9 m-85 -114.39 134.35 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.414 ' C ' HG23 ' A' ' 95' ' ' VAL . 8.1 t -127.46 177.78 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 39' ' ' TRP . 92.7 t -151.26 145.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.457 ' N ' HG11 ' A' ' 95' ' ' VAL . 5.1 ppp? -148.72 -179.97 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.22 145.98 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.7 m -125.4 102.22 7.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -125.34 152.03 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.443 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 15.2 m120 61.85 55.02 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.443 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER 39.86 38.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.56 141.0 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -96.28 153.96 17.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p -106.21 -174.91 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.0 t -82.86 158.94 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.412 ' CH2' ' HD3' ' A' ' 59' ' ' ARG . 74.8 m95 -80.7 155.21 26.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.9 t -99.37 174.69 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ptm -45.94 127.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 92' ' ' GLU . 20.6 m -75.78 146.45 39.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.44 159.72 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -119.48 150.08 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.436 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -167.33 121.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 m -94.42 136.33 34.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -79.81 158.21 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -67.96 153.93 42.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.0 112.2 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 87' ' ' PRO . . . -43.76 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.7 t -41.72 -59.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 155.88 126.7 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 162.04 43.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.7 t -78.19 -51.8 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 p -81.6 -71.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.6 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -141.11 105.37 6.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.8 169.79 18.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.311 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.06 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -144.94 -178.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.58 39.19 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.26 114.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -113.58 146.3 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.29 101.48 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.2 t -94.5 136.28 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.57 114.74 27.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 36' ' ' ARG . 5.5 mt -81.99 -53.47 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.917 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.7 t -144.99 176.31 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -46.64 -41.72 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.774 ' H ' HG23 ' A' ' 31' ' ' THR . 87.8 m-20 -117.77 40.71 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.917 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.55 131.28 12.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -143.56 113.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.539 ' HB2' HD21 ' A' ' 30' ' ' LEU . 8.4 tpp85 -86.76 107.64 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.734 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.6 t -94.61 105.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 p -111.73 142.01 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CE3' HG21 ' A' ' 95' ' ' VAL . 47.7 p90 -142.32 -178.7 5.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.62 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.4 tp -133.77 134.09 42.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -100.8 125.29 47.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 m -107.65 149.31 28.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.0 t -128.82 127.03 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 7.3 ptp180 -126.13 147.84 49.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.487 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 46.5 p90 -157.82 145.2 18.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -149.55 154.98 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.57 119.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.836 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CZ ' ' HG2' ' A' ' 61' ' ' ARG . 6.3 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.954 0.406 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 10.2 tttp -88.43 167.58 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.5 p -156.79 127.89 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -132.32 152.17 51.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.648 ' HB2' HD11 ' A' ' 55' ' ' LEU . 6.9 p-10 -105.8 127.23 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 75' ' ' THR . 13.3 t -146.33 127.37 14.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.4 p -85.63 24.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.4 m -126.74 170.77 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 38.7 mt -95.9 23.92 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 p -156.88 129.9 7.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -128.44 144.67 51.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.435 HG23 HD11 ' A' ' 30' ' ' LEU . 3.8 m -105.16 111.14 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -81.91 101.58 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.3 p -103.7 155.41 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.87 50.99 8.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.605 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -110.23 -175.49 2.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -100.52 134.67 20.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 54.3 Cg_endo -69.75 148.86 66.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.09 27.37 11.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 m -132.31 137.07 47.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.0 ttp -109.28 152.2 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.11 173.32 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.4 tt0 -101.93 125.39 48.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.734 ' CD2' HG21 ' A' ' 37' ' ' VAL . 12.8 m-85 -111.61 147.93 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.15 149.27 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.587 HG21 ' CE3' ' A' ' 39' ' ' TRP . 47.4 t -121.25 152.06 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 18.1 ptm -149.24 -175.05 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 9.0 p -146.01 150.13 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 102' ' ' ARG . 47.4 m -128.22 94.71 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 36.9 ttmt -120.93 152.39 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.8 t30 71.3 32.29 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 62.25 25.65 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 98' ' ' THR . 10.3 ptm180 -144.33 156.86 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -105.85 145.12 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.5 p -101.87 -175.62 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.5 t -81.33 159.68 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.1 m95 -80.38 154.74 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.5 t -90.52 177.21 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.6 ptm -44.26 141.35 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 3.2 m -82.68 153.57 25.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.98 127.84 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -93.94 144.14 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -168.64 109.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.4 m -83.88 152.44 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -90.91 156.8 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -73.36 148.05 43.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.63 121.96 14.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.508 ' HE3' HG13 ' A' ' 97' ' ' VAL . 72.1 mmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.857 0.36 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -101.07 118.81 59.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.733 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' HD22 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.77 165.91 29.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.746 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.1 Cg_endo -69.73 177.98 5.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.1 -175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 30.92 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.726 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 77.7 t -59.3 105.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.105 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -112.44 159.1 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -128.84 99.76 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' ARG . 10.7 t -87.59 134.21 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.1 112.03 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.562 ' CD1' HG23 ' A' ' 81' ' ' THR . 12.5 mt -82.64 -56.46 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.867 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -148.94 176.53 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -42.57 -53.94 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.514 ' H ' HG23 ' A' ' 31' ' ' THR . 66.6 m-20 -108.17 43.86 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.867 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -155.79 133.19 10.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -146.73 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.6 tpp180 -89.14 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.9 t -93.97 112.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.7 p -122.11 134.84 54.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.79 ' CE2' HG11 ' A' ' 95' ' ' VAL . 27.0 p90 -127.29 179.25 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.12 161.92 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.1 tp -101.93 149.07 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.471 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.0 m-85 -114.74 137.29 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -116.53 151.64 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.12 117.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.639 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 6.3 ptm180 -111.9 148.64 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.456 ' CZ2' ' CD ' ' A' ' 71' ' ' LYS . 48.4 p90 -153.89 126.84 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.592 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 7.0 tmm_? -133.86 139.6 46.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.429 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 3.1 p -43.16 132.71 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 10.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.914 0.388 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' CD ' ' CZ2' ' A' ' 60' ' ' TRP . 13.4 ttmt -107.49 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -160.87 152.52 19.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -151.41 147.16 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.1 p-10 -101.45 124.4 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -137.56 135.6 36.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -89.0 36.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -146.44 164.86 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 60.9 mt -87.51 32.18 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 p -162.64 144.04 10.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -144.05 144.31 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.562 HG23 ' CD1' ' A' ' 30' ' ' LEU . 4.2 m -104.47 113.03 26.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.665 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -86.52 97.72 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -97.44 158.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.37 54.29 11.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.1 mt -112.92 -174.89 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -97.68 132.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.79 155.89 64.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.4 p-10 47.62 36.49 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m -140.59 141.25 35.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.533 ' HB2' HG23 ' A' ' 113' ' ' THR . 48.7 ttp -115.48 149.76 37.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -137.06 179.86 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.875 ' HB2' HG21 ' A' ' 109' ' ' THR . 2.6 pt-20 -107.08 125.56 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 109' ' ' THR . 10.0 m-85 -112.87 159.19 19.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -153.36 175.73 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 39' ' ' TRP . 64.1 t -147.27 137.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 23.5 ptm -140.09 -174.99 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.508 HG13 ' HE3' ' A' ' 19' ' ' MET . 13.2 p -148.43 144.14 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -119.74 96.11 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -125.14 148.43 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 21.4 t30 70.76 47.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 4.4 ptm180 48.46 31.17 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -148.11 149.56 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -95.97 151.16 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 105' ' ' THR . 28.3 t -100.64 -179.51 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.401 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.3 t -89.85 163.02 15.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.61 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 54.4 m95 -85.91 134.25 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' MET . 17.4 t -82.2 170.36 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . 5.6 ptm -35.79 129.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.875 HG21 ' HB2' ' A' ' 92' ' ' GLU . 6.4 m -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -102.19 148.7 25.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -106.4 153.78 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -174.6 112.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.2 m -84.75 151.32 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -94.41 154.34 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.49 144.59 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -58.02 134.5 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.584 ' HE3' HG13 ' A' ' 97' ' ' VAL . 76.4 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.44 105.07 49.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 105' ' ' THR . 53.5 Cg_endo -69.76 170.09 17.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.73 177.85 5.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.62 -178.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.64 42.19 13.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.05 117.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.53 125.62 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.28 98.56 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.96 137.3 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.44 109.62 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.3 mt -79.19 -54.89 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.968 HG22 ' HB3' ' A' ' 34' ' ' ALA . 3.3 t -149.18 176.56 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -47.38 -42.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.706 ' H ' HG23 ' A' ' 31' ' ' THR . 5.3 p-10 -115.5 45.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.968 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -158.85 138.9 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 t -152.94 114.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.7 tpt180 -93.28 97.17 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.726 HG21 ' CD2' ' A' ' 93' ' ' PHE . 59.1 t -84.18 109.91 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -111.2 138.9 47.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.601 ' CE2' HG11 ' A' ' 95' ' ' VAL . 45.0 p90 -136.77 173.44 11.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.24 167.81 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -150.82 144.23 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.905 ' N ' HD22 ' A' ' 55' ' ' LEU . 6.9 m-85 -116.6 122.68 45.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 58' ' ' VAL . 25.3 m -101.77 155.96 17.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.423 ' N ' HG22 ' A' ' 57' ' ' THR . 45.2 t -139.93 123.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -115.25 157.99 22.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.541 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 41.0 p90 -167.5 144.98 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -162.33 154.72 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p -40.64 126.23 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 6.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 43.6 tttt -77.61 161.23 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 m -161.48 142.54 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.4 147.69 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.81 118.05 35.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -134.7 134.47 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.1 p -89.74 31.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 p -128.28 171.92 11.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -95.12 22.67 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.475 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 82.4 p -161.34 142.13 11.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -132.56 140.48 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -104.82 107.84 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -85.75 99.16 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.9 p -100.38 155.44 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.09 52.83 8.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.651 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -110.46 -178.78 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.466 ' HD2' HG21 ' A' ' 89' ' ' THR . 2.3 ttmp? -87.2 128.93 53.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.9 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.73 46.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 t30 60.44 35.07 20.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.466 HG21 ' HD2' ' A' ' 86' ' ' LYS . 1.9 m -139.4 134.27 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.419 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 24.3 ttp -104.23 151.08 23.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -137.76 179.16 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.493 ' HG3' HG23 ' A' ' 109' ' ' THR . 0.9 OUTLIER -100.91 125.3 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.726 ' CD2' HG21 ' A' ' 37' ' ' VAL . 46.6 m-85 -116.48 144.76 43.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -153.77 170.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' A' ' 39' ' ' TRP . 43.3 t -142.55 150.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -146.16 -176.03 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.584 HG13 ' HE3' ' A' ' 19' ' ' MET . 9.3 p -142.99 140.75 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.4 m -119.05 94.91 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -126.04 142.99 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER 74.96 47.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 3.8 ptm180 46.68 36.02 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -151.99 144.82 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.3 p -95.47 141.72 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 105' ' ' THR . 12.2 t -95.37 -179.0 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 104' ' ' SER . 8.2 t -87.67 152.35 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -72.16 146.6 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -84.35 -174.85 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 19.1 ptm -47.5 140.05 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.493 HG23 ' HG3' ' A' ' 92' ' ' GLU . 51.9 m -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.01 123.33 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -92.87 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.412 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -163.86 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -81.05 142.01 33.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -81.28 158.53 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.7 153.64 38.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -70.41 116.77 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.522 ' HE2' HG13 ' A' ' 97' ' ' VAL . 14.3 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.94 114.77 11.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 160.78 48.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.73 169.87 17.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -131.69 179.64 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.36 45.99 16.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -70.5 118.62 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.771 ' OE1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -121.96 137.93 54.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.78 101.11 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.771 HG23 ' OE1' ' A' ' 26' ' ' GLN . 99.2 t -92.43 141.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.9 115.3 30.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.54 ' CD1' HG23 ' A' ' 81' ' ' THR . 14.4 mt -81.85 -53.47 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.916 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -146.61 176.1 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.438 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 37.1 p-80 -44.94 -45.63 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.702 ' H ' HG23 ' A' ' 31' ' ' THR . 19.8 p-10 -115.23 41.24 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.916 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.32 130.76 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 3.0 t -142.11 119.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' VAL . 13.5 tpp180 -93.82 105.78 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.818 HG21 ' CD2' ' A' ' 93' ' ' PHE . 44.7 t -100.81 112.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -125.59 132.98 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.734 ' CE2' HG11 ' A' ' 95' ' ' VAL . 14.1 p90 -120.86 -174.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.98 146.81 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.84 0.353 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 74' ' ' ASP . 4.3 tp -104.64 143.15 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -118.2 131.79 56.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -111.05 153.06 26.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.171 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.9 t -132.44 114.41 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 7.7 ptm180 -109.54 150.51 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.497 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 43.2 p90 -159.57 145.32 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -157.8 147.3 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 2.9 p -33.85 127.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 5.7 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 39.1 tttt -77.04 166.39 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.04 142.51 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -145.55 132.61 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.553 ' HB3' HD11 ' A' ' 55' ' ' LEU . 79.3 m-20 -87.85 139.63 30.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -151.3 140.12 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -92.81 31.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 167.92 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -93.44 25.64 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -153.92 133.03 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -131.93 150.22 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 30' ' ' LEU . 11.7 m -115.77 97.74 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.612 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -73.17 105.05 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 p -105.35 159.02 16.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.92 48.57 20.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -107.06 -175.07 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 22.5 ttmt -96.82 133.92 23.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 150.53 67.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 t30 51.74 27.1 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.8 m -133.22 132.04 41.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 14.3 tmm? -104.62 152.42 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -136.83 -174.14 3.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 92.1 mt-10 -100.07 144.75 28.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.818 ' CD2' HG21 ' A' ' 37' ' ' VAL . 72.9 m-85 -134.02 135.86 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -143.94 -177.83 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.734 HG11 ' CE2' ' A' ' 39' ' ' TRP . 58.6 t -154.97 144.87 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -147.11 172.68 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.522 HG13 ' HE2' ' A' ' 19' ' ' MET . 4.1 p -137.85 141.56 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.8 m -119.45 95.87 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 19.9 ttpt -126.0 144.52 50.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 6.2 t-20 74.29 47.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 21.7 ptt180 47.84 30.99 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 7.0 ptp180 -148.65 146.09 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 p -103.91 141.89 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -93.85 -174.95 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.9 t -88.68 158.51 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.576 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 55.4 m95 -80.66 138.84 36.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' MET . 41.2 t -77.71 170.01 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' SER . 3.3 ptm -34.74 151.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.3 m -96.23 135.48 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 127.28 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.456 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 5.6 m-70 -93.2 135.99 33.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.89 119.01 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -87.47 154.32 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 p -94.9 160.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -71.31 155.38 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.58 117.8 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.46 ' HE3' HG13 ' A' ' 97' ' ' VAL . 81.6 mmm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.24 115.42 13.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 169.41 18.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.97 8.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.04 -178.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.72 41.84 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG21 ' OG ' ' A' ' 107' ' ' SER . 5.2 t -72.86 125.02 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -133.32 132.66 41.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 112' ' ' ALA . . . -103.15 104.5 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 3.3 t -91.31 130.02 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.57 109.57 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 36' ' ' ARG . 15.2 mt -81.07 -53.29 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.972 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.4 t -148.34 176.02 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -46.07 -46.78 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.682 ' H ' HG23 ' A' ' 31' ' ' THR . 16.0 p30 -113.91 41.95 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.972 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.37 134.9 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG12 HG23 ' A' ' 37' ' ' VAL . 10.9 t -148.03 118.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.652 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.8 tpt180 -93.21 96.06 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.609 HG21 ' CD2' ' A' ' 93' ' ' PHE . 57.8 t -88.1 111.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.68 152.56 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.444 ' CE2' HG11 ' A' ' 95' ' ' VAL . 33.4 p90 -143.79 -179.52 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.18 157.99 20.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.436 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.3 tp -129.06 144.3 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.51 139.15 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 58' ' ' VAL . 8.2 m -121.29 157.52 30.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' THR . 11.0 t -136.53 123.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 70' ' ' TYR . 6.9 ptm180 -114.56 149.78 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 33.7 p90 -168.27 142.13 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 70' ' ' TYR . 7.0 ptt85 -159.58 157.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.439 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 7.1 p -36.56 134.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 59' ' ' ARG . 4.0 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.994 0.426 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 28.2 tttt -89.57 165.67 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 p -157.63 126.42 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 7.4 tm-20 -130.34 130.88 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -87.88 123.36 32.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -143.28 143.31 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -101.16 23.52 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -121.03 163.88 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 17.0 mt -89.32 10.47 22.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -148.27 133.86 18.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' A' ' 73' ' ' GLU . 81.0 t80 -128.7 149.2 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.501 HG23 ' CD1' ' A' ' 30' ' ' LEU . 5.8 m -115.39 101.87 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.796 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -76.14 100.43 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -96.94 150.01 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.88 52.97 6.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.796 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.7 mt -107.4 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.356 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 21.6 tttp -92.65 130.41 37.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.51 38.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.2 t30 59.32 35.96 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -139.48 124.1 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -95.61 150.88 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.45 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -136.9 174.76 10.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 109' ' ' THR . 1.1 tt0 -103.1 125.05 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.609 ' CD2' HG21 ' A' ' 37' ' ' VAL . 44.5 m-85 -114.74 146.47 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -153.52 145.18 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 39' ' ' TRP . 11.3 t -114.58 155.27 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -151.29 -175.02 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.46 HG13 ' HE3' ' A' ' 19' ' ' MET . 3.7 p -143.3 143.13 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 102' ' ' ARG . 51.6 m -124.58 95.54 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -123.94 160.98 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 64.99 31.91 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 62.81 25.6 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 2.6 ptm85 -143.79 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 p -106.62 144.31 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.6 p -101.78 -178.88 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 t -76.92 169.81 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 84.4 m95 -88.62 161.24 17.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.477 ' OG ' HG21 ' A' ' 25' ' ' VAL . 90.2 p -98.67 179.87 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.8 ptm -47.23 129.52 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 110' ' ' ALA . 49.2 m -71.22 157.58 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 109' ' ' THR . . . -130.04 116.42 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.99 133.63 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . . . -153.23 111.98 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.3 m -83.23 151.23 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.8 p -92.89 161.04 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -77.61 146.51 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.61 110.5 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' HG13 ' A' ' 97' ' ' VAL . 28.2 mmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -104.81 105.51 51.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.674 0.749 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.86 169.93 17.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.73 2.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.6 -176.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.76 37.87 7.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 21.9 t -69.6 110.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 111.082 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -116.89 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.02 101.06 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -90.31 132.82 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.15 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.55 -54.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.946 HG22 ' HB3' ' A' ' 34' ' ' ALA . 2.9 t -147.06 176.44 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -50.06 -36.64 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.851 ' H ' HG23 ' A' ' 31' ' ' THR . 82.9 m-20 -120.51 42.43 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.946 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -157.02 139.98 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 t -153.36 119.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -93.8 104.52 16.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 93' ' ' PHE . 31.5 t -98.62 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.9 m -118.86 132.05 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.642 ' CD2' HG21 ' A' ' 95' ' ' VAL . 21.4 p90 -121.56 -175.72 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.47 147.95 46.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 74' ' ' ASP . 5.0 tp -148.83 149.99 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.431 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -120.66 118.41 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.4 m -99.94 149.66 23.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.78 126.04 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -121.1 152.63 38.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 46.1 p90 -165.43 132.27 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.604 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 11.0 tpt180 -165.02 158.06 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.487 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.5 p -31.43 135.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.847 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.604 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 4.1 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.941 0.401 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -86.41 165.66 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 p -160.68 123.11 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.6 145.93 49.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.842 ' HB2' HD11 ' A' ' 55' ' ' LEU . 4.1 p30 -102.13 116.36 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -137.6 149.83 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.5 p -102.55 6.57 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -104.63 166.02 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.0 mt -96.32 29.2 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -157.93 129.84 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -136.98 140.5 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 m -104.46 119.88 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.647 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -92.52 97.27 10.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.1 p -97.62 156.12 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.97 52.03 9.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.647 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.5 mt -109.75 -176.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.5 ttpt -97.28 130.76 28.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.423 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.77 144.52 54.24 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 61.6 25.62 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.2 m -131.72 128.38 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.416 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 36.1 ttp -100.48 152.43 20.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -137.06 174.74 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -101.19 125.4 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.765 ' CD2' HG21 ' A' ' 37' ' ' VAL . 56.8 m-85 -112.23 137.78 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.97 146.93 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.642 HG21 ' CD2' ' A' ' 39' ' ' TRP . 47.1 t -117.4 145.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -140.81 168.7 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.565 HG13 ' HE2' ' A' ' 19' ' ' MET . 5.5 p -128.86 140.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -124.23 96.33 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -125.76 161.79 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.03 31.81 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 62.4 32.08 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -150.78 151.74 32.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 p -101.28 143.37 31.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 59.5 p -97.41 -174.72 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 t -84.72 159.25 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -81.6 139.0 35.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.0 t -79.54 176.97 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 16.8 ptm -41.81 146.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 m -97.48 147.72 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -116.34 122.74 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -89.44 135.42 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.18 107.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -79.61 144.32 33.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.3 p -82.51 146.85 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -63.47 151.93 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -67.24 115.57 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 82.3 mmm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -133.99 115.07 13.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.629 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 -178.87 2.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.9 m -144.64 -177.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.79 44.41 17.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.678 HG21 ' OG ' ' A' ' 107' ' ' SER . 14.5 t -74.12 109.63 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -113.14 134.69 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.45 101.61 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' ARG . 20.7 t -90.09 134.63 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.72 108.89 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.6 mt -78.39 -53.99 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.901 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.72 176.14 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -44.79 -46.61 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.683 ' H ' HG23 ' A' ' 31' ' ' THR . 6.5 p30 -114.21 41.26 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.901 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.35 132.99 13.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 t -145.29 115.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.3 tpp180 -86.25 100.0 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.672 HG21 ' CD2' ' A' ' 93' ' ' PHE . 86.0 t -90.97 109.05 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.05 153.04 35.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.545 ' CE2' HG11 ' A' ' 95' ' ' VAL . 36.5 p90 -146.78 -177.69 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.96 170.67 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.0 p-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.3 tp -134.46 135.88 42.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.12 134.02 44.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 m -112.03 141.6 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.68 118.17 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.605 ' NH2' ' CD1' ' A' ' 106' ' ' TRP . 19.5 ptt180 -122.38 148.91 44.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.442 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.1 p90 -149.56 130.29 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.649 ' HE ' ' N ' ' A' ' 70' ' ' TYR . 5.8 tpp85 -130.62 143.56 50.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -47.95 135.08 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.649 ' N ' ' HE ' ' A' ' 61' ' ' ARG . 11.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.94 0.4 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 34.2 tttt -78.63 154.53 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.7 p -147.42 132.24 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -142.16 139.79 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.582 ' HB2' HD11 ' A' ' 55' ' ' LEU . 2.0 p30 -88.89 134.32 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -149.96 128.72 12.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.8 p -93.59 36.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . 27.8 m -140.06 169.0 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.5 mt -94.49 24.91 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -157.74 131.24 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -131.82 151.06 51.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.644 HG23 ' CD1' ' A' ' 30' ' ' LEU . 4.4 m -113.08 102.76 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.639 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -76.61 99.12 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 p -102.12 154.4 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.8 48.25 10.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.639 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.1 mt -108.85 -174.72 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 89' ' ' THR . 16.6 ttpp -97.37 134.12 23.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 156.48 63.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.6 p-10 45.08 37.79 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.6 HG21 ' HE3' ' A' ' 86' ' ' LYS . 1.6 m -143.09 126.06 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.401 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 12.2 tmm? -101.93 152.58 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.4 OUTLIER -138.26 -179.89 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.452 ' HG2' HG23 ' A' ' 109' ' ' THR . 0.0 OUTLIER -100.77 125.98 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.672 ' CD2' HG21 ' A' ' 37' ' ' VAL . 57.2 m-85 -115.04 150.76 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -153.52 -178.53 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.629 HG12 ' HG3' ' A' ' 22' ' ' PRO . 64.9 t -152.43 145.44 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 103' ' ' SER . 5.5 ppp? -149.43 -176.2 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.84 144.27 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.3 m -115.49 97.97 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.57 154.09 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 49.5 m-20 63.54 40.55 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 54.57 28.62 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.46 145.59 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 17.2 p -94.03 137.13 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 105' ' ' THR . 11.1 t -87.91 179.3 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.447 ' N ' ' OG ' ' A' ' 104' ' ' SER . 11.7 t -79.57 172.68 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.605 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 76.0 m95 -95.64 145.24 25.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.678 ' OG ' HG21 ' A' ' 25' ' ' VAL . 96.4 p -81.18 -176.53 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.5 ptm -51.17 145.04 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.452 HG23 ' HG2' ' A' ' 92' ' ' GLU . 23.6 m -82.3 137.48 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.38 122.82 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -92.15 141.35 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.67 114.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 m -86.05 148.6 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.8 p -87.47 164.63 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -72.61 149.3 44.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.01 108.49 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.581 ' HE2' HG13 ' A' ' 97' ' ' VAL . 13.5 mtp . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -127.47 115.06 21.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.932 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.428 ' N ' HD13 ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.74 160.77 48.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.69 -176.81 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.95 -175.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.32 29.04 6.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 25' ' ' VAL . 2.5 t -60.62 111.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.311 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.98 123.07 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 97.56 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.9 t -92.61 136.03 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.23 112.9 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.1 mt -78.63 -52.42 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.896 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.54 175.97 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -44.75 -47.34 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.667 ' H ' HG23 ' A' ' 31' ' ' THR . 6.6 p-10 -113.17 42.18 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.896 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -154.11 132.93 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -144.97 117.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tpp85 -90.11 111.62 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG21 ' HD2' ' A' ' 93' ' ' PHE . 48.5 t -99.06 106.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -116.21 133.57 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.485 ' CE3' HG21 ' A' ' 95' ' ' VAL . 37.5 p90 -129.49 173.49 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.99 151.17 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 14.4 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.7 tp -131.0 142.45 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.54 128.55 55.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -109.15 150.53 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.59 124.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HG2' ' CH2' ' A' ' 106' ' ' TRP . 0.2 OUTLIER -132.04 144.89 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 24.0 p90 -148.83 139.51 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.545 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 7.5 tmm_? -136.23 139.52 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.422 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 4.7 p -36.16 137.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 91' ' ' TYR . 37.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 9.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -84.67 169.96 13.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -161.38 138.94 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -145.26 151.32 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.1 p-10 -103.79 127.14 51.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -144.37 130.86 19.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 p -90.79 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -135.72 164.59 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 18.7 mt -90.25 30.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -161.9 130.48 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -133.82 140.87 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 ' CD1' ' A' ' 30' ' ' LEU . 11.9 m -101.37 108.73 20.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.01 103.46 10.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -104.0 150.26 24.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.77 49.15 5.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mt -107.88 177.02 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttmm -92.22 133.13 30.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.83 63.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 t30 53.98 27.88 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -132.27 132.43 43.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.7 ttp -106.57 150.98 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -138.77 -174.27 3.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.503 ' HG2' HG21 ' A' ' 109' ' ' THR . 27.1 mt-10 -100.19 140.02 35.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' HD2' HG21 ' A' ' 37' ' ' VAL . 58.3 m-85 -129.99 143.14 50.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -154.01 -178.64 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.485 HG21 ' CE3' ' A' ' 39' ' ' TRP . 97.5 t -151.6 150.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 12.7 ptm -150.39 173.07 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.581 HG13 ' HE2' ' A' ' 19' ' ' MET . 7.1 p -140.05 133.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.5 m -107.2 94.15 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 13.0 ttpt -121.58 154.93 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 8.5 m-80 64.32 46.98 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 8.3 ptp180 47.45 35.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.7 ptm85 -153.64 154.5 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.92 138.76 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 17.4 p -92.28 -174.4 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -87.41 161.49 17.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 79.5 m95 -83.8 136.31 34.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -66.65 -174.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.41 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -51.89 153.19 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.503 HG21 ' HG2' ' A' ' 92' ' ' GLU . 86.1 m -87.98 132.21 34.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.57 123.96 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -97.2 134.49 40.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.57 112.49 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -82.55 149.85 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 p -90.77 161.87 15.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -75.23 145.02 42.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.05 111.5 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HE2' ' HB3' ' A' ' 99' ' ' LYS . 53.6 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -153.04 112.94 2.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -178.69 2.44 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -143.68 -177.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.48 34.09 18.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.0 t -63.83 108.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.09 136.94 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -109.19 101.47 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.2 t -93.46 133.38 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.16 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.643 HD21 ' CB ' ' A' ' 36' ' ' ARG . 6.4 mt -80.8 -51.75 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.913 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -148.72 174.76 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -44.81 -44.75 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.72 ' H ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -115.01 41.09 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.913 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.7 132.79 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.11 113.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.643 ' CB ' HD21 ' A' ' 30' ' ' LEU . 9.4 tpp85 -85.9 107.88 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.662 HG21 ' CD2' ' A' ' 93' ' ' PHE . 43.5 t -94.84 109.3 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -118.87 137.53 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.509 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 34.6 p90 -133.83 -175.54 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.82 161.27 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 10.9 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.3 tp -115.02 146.92 40.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.439 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -109.39 127.48 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -108.41 150.44 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.17 125.32 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -128.21 155.25 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 48.5 p90 -160.1 131.62 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.535 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -134.89 145.36 48.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -38.07 139.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.83 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.996 0.427 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 7.5 ttmm -72.82 157.14 38.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -155.8 126.65 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -129.29 157.2 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.723 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.2 p-10 -110.05 131.0 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -150.35 144.66 25.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 p -97.33 4.85 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -101.95 173.24 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 80.4 mt -100.72 19.52 16.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -151.57 128.72 11.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -129.44 139.5 51.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.493 HG23 HD11 ' A' ' 30' ' ' LEU . 3.6 m -101.58 113.33 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -85.77 101.99 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -102.08 158.66 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.9 55.43 7.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.566 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.2 mt -114.93 -176.81 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -99.15 136.83 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.8 65.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.19 39.68 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m -142.95 128.24 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.413 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 13.7 tmm? -103.88 152.96 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -138.67 -179.38 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 5.4 tt0 -102.27 125.77 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.662 ' CD2' HG21 ' A' ' 37' ' ' VAL . 21.0 m-85 -116.71 141.92 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -151.58 166.36 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.452 HG21 ' CE3' ' A' ' 39' ' ' TRP . 42.1 t -137.61 154.57 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.59 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 20.9 ptm -151.95 -175.0 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CE ' ' A' ' 19' ' ' MET . 1.3 p -143.02 138.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 102' ' ' ARG . 93.0 m -119.6 94.09 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.538 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -126.41 152.18 46.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.447 ' HB2' ' CD ' ' A' ' 99' ' ' LYS . 33.0 t-20 74.29 31.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 63.03 28.08 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 98' ' ' THR . 6.5 ptm180 -146.82 154.12 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.467 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 94.9 p -106.01 133.64 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 1.3 t -89.78 175.19 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 104' ' ' SER . 15.0 t -75.87 169.24 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.59 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 84.1 m95 -88.25 158.24 18.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t -97.61 176.07 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.3 ptm -40.08 131.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 19.4 m -78.81 154.34 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.26 124.39 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.57 129.06 39.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . -146.96 114.91 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -86.69 146.91 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.8 p -88.24 154.01 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -71.62 151.49 43.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -68.43 111.67 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.451 ' HE3' HG13 ' A' ' 97' ' ' VAL . 63.2 mmm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -118.78 123.94 28.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.77 166.44 27.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -144.09 -176.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.49 45.92 5.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.75 102.93 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.79 148.53 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -118.76 100.47 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 22.3 t -92.59 134.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.79 113.96 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.1 mt -85.19 -52.35 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.922 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.1 t -149.1 172.15 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -40.96 -48.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.642 ' H ' HG23 ' A' ' 31' ' ' THR . 21.5 p-10 -113.35 43.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.922 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -155.33 126.05 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -138.24 111.58 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 30' ' ' LEU . 12.7 tpp180 -81.99 112.19 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.01 107.03 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.2 p -109.88 141.6 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.537 ' CE2' HG11 ' A' ' 95' ' ' VAL . 46.1 p90 -142.12 177.41 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.88 167.95 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.5 tp -128.48 135.29 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.64 127.01 53.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 58' ' ' VAL . 25.6 m -102.13 156.74 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 57' ' ' THR . 16.1 t -141.59 123.52 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.0 ptt85 -129.97 159.35 36.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.501 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 32.5 p90 -159.71 141.66 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 2.2 ttt180 -139.08 143.54 38.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -42.8 126.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.838 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CE1' ' HD2' ' A' ' 61' ' ' ARG . 13.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.932 0.396 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -96.58 154.99 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -145.83 140.8 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -147.14 136.08 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -87.94 139.31 30.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -153.1 128.61 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.9 p -94.04 39.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.1 m -143.63 170.14 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -94.88 25.27 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -160.99 124.12 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -124.68 151.1 45.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.415 HG23 ' CD1' ' A' ' 30' ' ' LEU . 35.0 m -112.99 99.09 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.43 104.18 4.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.8 p -105.8 158.52 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.52 43.93 11.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.99 -179.92 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -95.07 134.09 25.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.477 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.71 153.99 68.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.559 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 0.7 OUTLIER 51.8 30.52 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 m -135.82 139.56 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.481 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.3 ttp -114.54 153.22 30.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -144.55 -178.34 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 109' ' ' THR . 0.4 OUTLIER -106.54 141.59 37.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 72.0 m-85 -128.75 137.55 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -140.45 145.27 36.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 39' ' ' TRP . 24.8 t -118.14 152.01 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -148.89 -175.09 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.451 HG13 ' HE3' ' A' ' 19' ' ' MET . 3.6 p -144.25 148.65 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 102' ' ' ARG . 51.8 m -126.94 98.95 5.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -126.44 157.83 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 64.01 40.25 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 55.8 28.19 11.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.6 ptm85 -145.16 153.91 41.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -98.67 148.16 24.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 105' ' ' THR . 13.9 t -96.4 -179.7 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.1 t -86.92 160.17 18.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -83.35 136.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 t -80.42 179.26 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.7 ptm -48.16 123.33 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 92' ' ' GLU . 29.6 m -72.12 144.65 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.51 160.76 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -122.43 150.27 42.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . -167.46 119.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.481 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.4 m -88.99 147.74 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.6 p -92.3 150.07 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -61.08 152.16 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -71.16 110.72 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.515 ' CB ' ' HB2' ' A' ' 104' ' ' SER . 14.4 mtp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 106.68 5.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 161.02 47.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -154.1 -179.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.89 51.72 23.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.09 119.72 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -120.86 130.8 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -107.71 100.9 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' ARG . 43.3 t -94.28 140.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.72 114.11 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' CD1' HG23 ' A' ' 81' ' ' THR . 19.0 mt -82.13 -52.03 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.91 HG23 ' H ' ' A' ' 33' ' ' ASP . 2.5 t -147.92 176.43 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -49.13 -34.65 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.91 ' H ' HG23 ' A' ' 31' ' ' THR . 74.1 m-20 -123.05 41.17 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.893 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.54 139.0 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -147.89 115.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.9 tpp180 -88.97 109.92 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 93' ' ' PHE . 59.8 t -101.28 111.95 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.18 153.75 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.805 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.417 ' CD2' HG21 ' A' ' 95' ' ' VAL . 40.6 p90 -147.77 -175.15 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.21 137.01 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 74' ' ' ASP . 4.2 tp -120.29 143.35 48.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.78 129.88 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -113.2 150.83 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' SER . 26.9 t -134.32 128.68 52.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.485 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 31.7 ptt85 -121.42 151.63 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.575 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 41.5 p90 -154.88 125.96 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.59 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -134.98 142.12 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.485 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 5.9 p -39.25 135.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.824 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.59 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 11.4 tttp -101.9 145.22 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.485 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . 1.2 t -162.48 153.99 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 80' ' ' TYR . 5.2 pt-20 -151.67 171.74 17.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.705 ' HB2' HD11 ' A' ' 55' ' ' LEU . 5.4 p-10 -87.68 145.54 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 75' ' ' THR . 11.4 t -154.93 109.24 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.7 p -79.85 41.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -142.26 153.26 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.46 18.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.6 p -153.43 119.78 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 73' ' ' GLU . 54.7 t80 -110.15 151.57 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.3 m -123.95 101.32 7.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -75.91 100.68 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -104.23 146.97 28.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 44.15 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.679 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.2 mt -105.63 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -94.33 137.84 22.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.504 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.5 Cg_endo -69.82 161.1 47.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.286 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 87' ' ' PRO . 3.1 p-10 43.47 35.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 m -137.86 138.83 39.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.521 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.6 ttp -113.9 149.29 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -135.74 -179.65 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' CG ' HG21 ' A' ' 109' ' ' THR . 3.0 pt-20 -111.23 125.42 53.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.7 m-85 -112.1 154.36 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -153.4 170.33 20.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.417 HG21 ' CD2' ' A' ' 39' ' ' TRP . 26.5 t -139.36 154.74 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 25.1 ptm -154.04 -176.3 5.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.458 HG13 ' HE2' ' A' ' 19' ' ' MET . 7.5 p -146.84 142.37 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.5 m -120.85 94.93 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 12.0 ttpt -126.47 150.24 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.87 37.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 58.56 25.18 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -142.03 149.77 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -101.3 136.85 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.515 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 16.4 t -88.01 -178.15 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.5 t -88.9 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.601 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 56.2 m95 -79.85 138.64 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' MET . 64.6 p -77.85 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.827 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' SER . 7.9 ptm -35.94 121.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.487 HG21 ' CG ' ' A' ' 92' ' ' GLU . 9.8 m -73.8 128.5 35.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.97 163.0 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -123.39 157.15 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.433 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -172.93 117.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.521 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.2 m -90.0 148.24 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -93.13 149.34 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -61.5 136.29 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.72 123.36 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 12.7 mtp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -140.57 111.58 6.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -177.79 2.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 m -150.52 -175.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.39 31.14 34.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.517 HG21 ' OG ' ' A' ' 107' ' ' SER . 2.9 t -66.63 116.04 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -117.48 125.42 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 100.87 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.55 134.84 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.18 114.81 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 81' ' ' THR . 12.7 mt -84.89 -51.73 6.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.915 HG22 ' CB ' ' A' ' 34' ' ' ALA . 2.2 t -148.65 176.15 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 17.5 p-80 -49.19 -38.1 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.834 ' H ' HG23 ' A' ' 31' ' ' THR . 2.5 p30 -119.25 41.95 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.915 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.74 148.17 26.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' ALA . 16.7 t -159.72 114.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HB2' HD21 ' A' ' 30' ' ' LEU . 13.9 tpp180 -87.2 103.74 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.51 110.65 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.0 p -120.92 138.15 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.528 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 44.7 p90 -131.93 -178.56 4.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.32 149.5 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.606 ' N ' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.5 tp -138.75 136.18 35.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -108.74 126.12 52.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.7 m -110.63 147.81 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -132.31 112.56 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' LYS . 5.1 ptp180 -112.3 152.34 28.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -151.51 130.92 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.6 tmm_? -136.36 140.12 43.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 p -39.16 140.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.855 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 4.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.948 0.404 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 6.7 tttp -100.56 148.99 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.8 p -161.43 161.23 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -143.58 151.97 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.66 124.06 37.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.7 t -138.31 147.75 43.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.6 p -101.4 21.04 14.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 p -119.06 178.33 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.528 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 96.5 mt -101.92 15.38 29.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.7 p -150.67 138.26 19.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -138.1 141.6 40.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.467 HG23 ' CD1' ' A' ' 30' ' ' LEU . 3.4 m -102.34 114.86 29.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -87.98 99.13 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.1 p -102.13 153.34 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 50.17 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -114.64 165.13 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -75.18 132.86 75.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.78 156.35 63.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.9 p-10 46.51 40.37 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.5 m -143.57 136.68 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.504 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 59.5 ttp -106.74 151.64 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -138.69 -177.86 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.765 ' HG3' HG23 ' A' ' 109' ' ' THR . 5.6 tt0 -101.77 128.64 48.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -120.19 142.03 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.7 p -154.38 179.83 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 96' ' ' MET . 38.4 t -146.69 156.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.584 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 7.6 ptm -149.01 -176.43 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.412 HG13 ' HE2' ' A' ' 19' ' ' MET . 2.6 p -147.99 146.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -121.34 99.2 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -123.37 150.95 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.34 36.57 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 60.24 26.19 15.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.2 ptt-85 -140.48 147.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -103.33 130.41 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 20.9 p -85.4 -175.6 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.822 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -80.9 162.68 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.584 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 73.8 m95 -83.33 148.04 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.517 ' OG ' HG21 ' A' ' 25' ' ' VAL . 79.8 p -75.03 -174.57 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.414 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -53.89 154.07 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.765 HG23 ' HG3' ' A' ' 92' ' ' GLU . 63.8 m -89.02 126.66 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.78 114.95 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -87.74 139.03 30.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.86 110.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -79.61 150.76 30.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.9 p -89.42 160.5 16.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -70.19 147.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.52 113.72 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.568 ' HE3' HG13 ' A' ' 97' ' ' VAL . 79.2 mmm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -131.73 116.4 15.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 163.35 38.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.81 177.87 5.17 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.51 -176.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 32.46 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.35 111.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -117.55 146.94 43.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.14 99.95 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.5 t -91.62 132.92 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.43 116.0 28.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 36' ' ' ARG . 10.3 mt -86.8 -53.49 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.917 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.1 t -148.42 172.67 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 26.6 p-80 -41.12 -48.84 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.644 ' H ' HG23 ' A' ' 31' ' ' THR . 1.1 p30 -113.37 42.14 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.917 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.35 127.19 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 37' ' ' VAL . 4.7 t -139.91 113.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.654 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.8 tpt180 -87.21 93.15 9.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.676 HG21 ' CD2' ' A' ' 93' ' ' PHE . 84.6 t -84.78 109.57 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.93 152.99 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 78' ' ' LEU . 35.6 p90 -144.23 -178.61 6.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.87 152.49 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.484 ' HB2' HD21 ' A' ' 78' ' ' LEU . 56.0 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.507 ' HA ' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.2 tp -91.21 130.34 37.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -98.51 128.62 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -108.19 142.69 38.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG12 ' CE3' ' A' ' 60' ' ' TRP . 16.8 t -115.92 121.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 2.4 ptp180 -127.39 149.85 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.489 ' CB ' ' O ' ' A' ' 92' ' ' GLU . 37.4 p90 -159.11 154.75 26.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.572 ' CB ' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ttp180 -152.77 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 p -50.04 127.71 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' CB ' ' A' ' 61' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -88.72 174.48 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 p -161.23 134.58 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -138.8 154.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.09 121.57 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 t -140.35 132.38 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -93.57 29.8 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -132.11 172.86 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 41' ' ' ASP . 10.6 mt -96.67 24.0 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 p -156.95 131.45 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.89 150.27 49.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.45 HG23 ' CD1' ' A' ' 30' ' ' LEU . 26.2 m -112.15 99.53 8.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -73.7 103.69 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -103.56 152.52 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.94 48.61 6.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.3 mt -110.48 171.3 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.81 132.61 48.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.77 153.25 69.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 1.5 p-10 48.54 33.44 4.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 91' ' ' TYR . 77.2 m -139.93 128.04 22.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -98.67 145.42 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.545 ' HE2' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -131.5 -173.41 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 60' ' ' TRP . 11.8 mt-10 -100.23 143.49 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.676 ' CD2' HG21 ' A' ' 37' ' ' VAL . 89.4 m-85 -133.7 139.76 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t -152.52 178.8 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 96' ' ' MET . 28.3 t -151.89 154.92 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.522 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -154.02 -176.37 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.568 HG13 ' HE3' ' A' ' 19' ' ' MET . 4.7 p -137.72 145.86 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -129.85 97.03 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -126.92 154.76 44.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 4.9 m-20 66.77 41.52 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 50.03 42.18 24.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 4.2 ptp180 -158.14 139.18 13.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.418 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 92.2 p -89.39 147.91 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 12.9 p -105.69 -174.35 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -84.85 165.26 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 59' ' ' ARG . 78.1 m95 -91.88 172.03 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.1 t -112.36 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 ptm -38.86 142.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.7 m -84.14 151.1 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.04 36.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -91.69 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.81 105.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -72.61 146.13 46.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -86.77 153.93 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -64.04 140.28 58.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 117' ' ' ALA . 17.7 tt0 -62.93 107.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 116' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.439 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 69.8 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.45 107.16 7.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 169.57 18.49 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.558 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.84 173.62 10.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.87 -176.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.64 60.77 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' OG ' ' A' ' 107' ' ' SER . 55.4 t -82.79 111.45 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -112.02 140.52 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 112' ' ' ALA . . . -114.36 105.47 13.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.4 t -94.67 134.37 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.85 109.84 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.7 mt -79.9 -55.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.91 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -146.48 176.12 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -44.13 -46.85 8.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.674 ' H ' HG23 ' A' ' 31' ' ' THR . 7.6 p30 -114.86 42.08 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.91 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.65 130.63 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 5.1 t -141.73 113.92 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.549 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.5 tpp85 -86.66 103.85 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.22 111.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.0 p -120.9 133.12 55.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' HG21 ' A' ' 95' ' ' VAL . 35.0 p90 -129.46 178.3 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.0 166.74 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 74' ' ' ASP . 4.7 tp -125.82 139.89 53.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.67 132.33 54.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -112.09 153.98 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 95' ' ' VAL . 98.9 t -136.03 123.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CE2' ' A' ' 70' ' ' TYR . 3.7 ptm180 -122.24 167.35 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 44.5 p90 -167.72 140.65 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.616 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 6.8 ttp85 -137.95 145.41 41.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.467 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -47.43 133.77 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.887 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 6.3 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.963 0.411 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -79.61 157.71 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -156.0 149.58 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -146.91 138.65 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.597 ' HB2' HD11 ' A' ' 55' ' ' LEU . 15.4 p-10 -91.79 117.28 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 t -133.58 145.6 50.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -97.44 8.86 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -108.41 167.67 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 mt -92.52 19.9 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -154.45 131.53 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 81' ' ' THR . 10.0 t80 -128.69 140.85 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 2.7 m -98.13 125.72 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.576 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -95.19 98.29 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 p -100.7 157.16 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.01 48.8 18.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.9 mt -109.25 -177.88 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.368 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttpt -99.19 136.95 20.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.428 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.76 158.32 57.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 44.06 26.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 m -130.52 125.28 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.665 ' HB2' HG23 ' A' ' 113' ' ' THR . 14.1 tmm? -102.99 153.12 20.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -140.67 -175.41 4.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HG3' HG21 ' A' ' 109' ' ' THR . 3.1 pt-20 -112.22 125.6 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 109' ' ' THR . 18.8 m-85 -112.47 156.98 21.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.6 p -154.18 169.19 24.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG21 ' CE3' ' A' ' 39' ' ' TRP . 47.3 t -139.9 144.42 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 106' ' ' TRP . 5.0 ppp? -141.55 -175.46 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.08 143.62 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 102' ' ' ARG . 93.6 m -124.21 98.42 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -126.05 144.27 50.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 14.8 t-20 73.55 49.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 7.9 ptm180 44.78 34.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 98' ' ' THR . 1.7 ptm85 -150.74 153.43 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 m -109.82 147.28 33.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.439 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 54.2 p -106.8 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.0 t -77.41 159.3 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.593 ' CZ3' ' HG3' ' A' ' 96' ' ' MET . 62.3 m95 -84.43 143.71 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.519 ' OG ' HG21 ' A' ' 25' ' ' VAL . 94.7 p -72.37 177.89 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.3 ptm -47.39 123.14 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 93' ' ' PHE . 29.2 m -74.44 135.75 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -107.66 170.02 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -128.18 153.07 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . . . -168.33 116.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 90' ' ' MET . 2.0 m -84.28 155.27 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.0 p -99.84 157.33 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.8 133.15 45.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -52.04 127.2 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.6 mmm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.815 0.341 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD13 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -109.98 116.39 53.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.424 ' HD2' HD13 ' A' ' 20' ' ' LEU . 53.4 Cg_endo -69.75 169.74 18.18 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.733 2.289 . . . . 0.0 112.324 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -145.95 -178.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.99 27.54 3.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.28 108.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -114.56 137.16 52.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.64 99.13 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ARG . 31.5 t -85.44 135.63 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.41 111.11 23.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 36' ' ' ARG . 3.3 mt -80.25 -52.01 8.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.91 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.5 t -149.11 176.21 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 33.5 p-80 -46.13 -43.25 14.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.749 ' H ' HG23 ' A' ' 31' ' ' THR . 16.3 p-10 -116.49 41.13 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.91 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.67 131.95 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -143.65 115.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.6 ' HB2' HD21 ' A' ' 30' ' ' LEU . 6.0 tpp85 -88.94 105.24 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.11 106.56 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.1 p -116.87 126.54 53.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.646 ' CE2' HG11 ' A' ' 95' ' ' VAL . 35.1 p90 -125.93 171.59 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.99 151.03 29.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.858 HD13 ' C ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.98 140.15 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.683 ' N ' HD13 ' A' ' 55' ' ' LEU . 8.8 m-85 -116.42 122.4 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 58' ' ' VAL . 58.9 m -92.37 156.17 17.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 57' ' ' THR . 23.1 t -139.68 126.59 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HD3' ' CH2' ' A' ' 106' ' ' TRP . 30.4 ptt85 -132.13 158.8 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.6 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.3 p90 -163.36 134.94 4.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.622 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -141.31 146.43 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.15 140.46 2.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.622 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 8.1 tttp -98.45 151.81 20.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -150.55 134.39 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -134.34 146.32 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.81 119.67 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -133.67 125.9 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.6 p -83.3 25.15 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -131.2 169.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.514 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.8 mt -94.69 27.98 2.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.2 p -157.69 134.1 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.536 ' CE1' ' CH2' ' A' ' 60' ' ' TRP . 32.4 t80 -138.67 140.07 38.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.559 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.0 m -99.77 113.19 25.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.41 97.56 10.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -103.36 149.11 25.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.55 46.81 5.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.68 -175.81 2.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.2 ttpp -97.58 133.22 23.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.14 62.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.0 t30 55.55 32.94 20.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -139.51 126.47 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.42 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 11.4 tmm? -100.48 153.12 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.29 178.06 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.3 tt0 -101.16 125.27 47.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.0 150.75 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -153.97 158.47 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.646 HG11 ' CE2' ' A' ' 39' ' ' TRP . 61.0 t -139.62 146.72 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.509 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -143.74 -175.09 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.8 p -141.26 140.83 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 102' ' ' ARG . 99.2 m -122.62 94.86 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -124.75 152.21 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 71.72 36.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.3 31.44 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 98' ' ' THR . 6.3 ptm180 -147.79 154.46 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.6 p -103.76 141.64 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 p -99.29 -175.71 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -82.77 165.17 20.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.8 m95 -84.25 166.18 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.8 t -107.86 170.38 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 ptm -39.75 139.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.45 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 2.9 m -79.34 150.18 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.57 119.39 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -92.56 126.32 37.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.94 111.32 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -80.69 147.97 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -86.49 161.13 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -75.23 141.68 43.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.29 112.07 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.543 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 71.7 mmm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -160.54 112.55 1.35 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.922 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HG3' HG23 ' A' ' 105' ' ' THR . 53.0 Cg_endo -69.78 171.18 14.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.81 178.59 4.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.08 -178.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.2 41.52 30.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 ' OG ' ' A' ' 107' ' ' SER . 16.6 t -66.0 115.85 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -116.9 134.95 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.22 101.86 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' ARG . 23.2 t -93.88 135.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.0 114.12 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 36' ' ' ARG . 21.6 mt -84.52 -52.31 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.966 HG22 ' HB3' ' A' ' 34' ' ' ALA . 2.5 t -147.43 176.1 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -50.35 -37.42 36.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.824 ' H ' HG23 ' A' ' 31' ' ' THR . 62.2 m-20 -119.37 41.96 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -156.47 143.77 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 t -152.44 117.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.4 tpp85 -90.79 107.8 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 93' ' ' PHE . 58.3 t -94.54 105.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -114.12 126.11 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 39.0 p90 -120.72 -175.65 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.29 167.46 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.6 tp -129.21 145.47 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.424 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 m-85 -111.27 125.73 54.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.7 m -103.73 148.83 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.27 125.6 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 2.9 ptp180 -127.07 146.44 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 34.8 p90 -151.81 126.06 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.9 tmt_? -130.58 140.61 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.51 131.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 8.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -91.99 158.76 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -153.79 139.55 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -144.13 148.18 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.606 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -100.81 122.5 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 t -134.61 133.71 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.5 p -91.31 25.44 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.1 m -134.31 173.76 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.542 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 17.2 mt -94.37 24.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -152.52 141.31 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 137.06 28.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.519 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.7 m -99.27 108.31 20.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -80.82 98.91 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.1 p -100.59 147.87 25.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.08 48.46 4.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.1 mt -110.28 178.37 4.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -97.59 136.78 21.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.411 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.74 158.8 55.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 1.1 p-10 46.55 35.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -143.19 127.56 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.474 ' HB2' HG23 ' A' ' 113' ' ' THR . 14.3 tmm? -104.29 152.97 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 -175.43 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.554 ' HB2' HG21 ' A' ' 109' ' ' THR . 0.7 OUTLIER -113.0 126.13 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.619 ' CD2' HG21 ' A' ' 37' ' ' VAL . 5.9 m-85 -113.22 150.22 32.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.68 170.8 18.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 17.2 t -142.68 153.03 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 9.9 ptm -149.32 -175.05 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.83 146.59 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -128.69 101.81 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 27.1 ttmt -121.32 155.85 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.3 m120 59.05 30.5 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.426 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 6.8 mmp_? 63.99 25.45 13.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 7.3 ptp180 -138.26 148.49 44.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -97.52 149.07 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 78.4 p -96.71 -82.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.563 HG23 ' HG3' ' A' ' 21' ' ' PRO . 12.3 t -176.19 170.81 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 76.1 m95 -93.11 140.53 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.441 ' OG ' HG21 ' A' ' 25' ' ' VAL . 88.8 p -79.4 -178.19 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.8 ptm -48.33 122.34 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.554 HG21 ' HB2' ' A' ' 92' ' ' GLU . 53.6 m -74.69 141.73 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.23 170.55 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -135.18 135.18 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.99 121.76 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.0 OUTLIER -87.4 150.01 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.6 p -92.8 146.79 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -57.43 139.32 53.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.08 106.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.431 ' HE2' ' HB3' ' A' ' 19' ' ' MET . 17.0 mtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.796 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -102.27 107.91 55.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.77 170.75 15.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.91 175.63 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.65 30.32 27.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.31 106.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -110.25 141.4 43.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.35 99.11 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ARG . 38.2 t -91.89 137.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 113.39 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.721 HD11 HG23 ' A' ' 81' ' ' THR . 7.8 mt -78.16 -52.55 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.875 HG22 ' CB ' ' A' ' 34' ' ' ALA . 2.8 t -146.68 176.58 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -49.49 -37.61 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.827 ' H ' HG23 ' A' ' 31' ' ' THR . 6.1 p-10 -118.37 42.16 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.875 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -156.14 145.72 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 5.5 t -154.45 114.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HB2' HD21 ' A' ' 30' ' ' LEU . 11.1 tpp180 -91.69 100.61 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' CD2' ' A' ' 93' ' ' PHE . 99.8 t -87.52 112.34 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -119.37 132.83 55.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.683 ' CD2' HG21 ' A' ' 95' ' ' VAL . 36.7 p90 -130.39 -177.56 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.92 141.97 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.3 tp -147.9 134.25 19.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.86 125.98 51.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -104.36 146.84 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.94 121.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -122.03 151.61 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.633 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 42.0 p90 -160.62 145.91 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.584 ' HG2' ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -163.36 154.65 16.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 15.9 p -40.41 120.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.792 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.584 ' CE2' ' HG2' ' A' ' 61' ' ' ARG . 10.5 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 11.6 ttmm -81.28 158.59 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.8 p -149.56 132.97 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -141.91 135.83 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.475 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -88.08 141.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -155.22 133.66 11.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.3 p -96.57 35.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.9 m -140.62 165.76 26.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.0 mt -92.33 27.65 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 p -160.33 128.82 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -131.38 140.7 49.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.721 HG23 HD11 ' A' ' 30' ' ' LEU . 17.6 m -107.88 107.33 18.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.551 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -81.95 98.86 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.9 p -97.64 154.83 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.9 52.91 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD11 ' O ' ' A' ' 82' ' ' ALA . 2.9 mt -113.17 175.77 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -86.91 134.97 35.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.459 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.4 Cg_endo -69.81 149.59 66.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.541 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.3 p-10 50.78 35.03 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -136.47 126.29 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.653 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 12.6 tmm? -100.22 148.54 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.426 ' O ' ' HD2' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -135.2 -173.1 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 35.4 mt-10 -100.35 140.98 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.703 ' CD2' HG21 ' A' ' 37' ' ' VAL . 77.9 m-85 -132.5 138.53 47.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -153.43 172.22 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.683 HG21 ' CD2' ' A' ' 39' ' ' TRP . 59.9 t -145.0 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.592 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 13.6 ptm -148.48 -178.5 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.5 p -147.31 136.59 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 102' ' ' ARG . 96.7 m -114.93 97.86 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 6.6 ttmm -126.09 154.92 42.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.33 42.29 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 10.1 tpp180 52.37 44.46 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.421 ' C ' HG23 ' A' ' 98' ' ' THR . 0.3 OUTLIER -162.41 148.26 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 p -101.85 139.85 36.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 19' ' ' MET . 7.0 p -86.84 -174.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -90.22 165.68 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 68.8 m95 -87.41 133.76 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -78.33 172.94 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.805 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 ptm -41.43 138.16 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.7 m -80.94 136.83 36.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.66 117.46 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.653 ' CD2' ' SD ' ' A' ' 90' ' ' MET . 8.4 m170 -89.15 131.7 35.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.04 114.4 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -84.83 142.59 29.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.4 p -82.31 165.18 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -76.23 147.87 38.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.48 108.45 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.479 ' HE1' ' HB3' ' A' ' 99' ' ' LYS . 91.9 mmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.94 118.68 16.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.5 41.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.615 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.2 Cg_endo -69.78 172.97 11.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.751 2.301 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.0 -178.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.99 34.8 16.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG21 ' OG ' ' A' ' 107' ' ' SER . 5.2 t -64.94 124.9 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.54 132.39 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.02 99.39 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' ARG . 57.6 t -91.4 139.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.51 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD11 ' NH1' ' A' ' 36' ' ' ARG . 12.8 mt -77.78 -53.24 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.973 HG22 ' HB3' ' A' ' 34' ' ' ALA . 5.9 t -147.92 176.29 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -53.3 -28.44 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.901 ' H ' HG23 ' A' ' 31' ' ' THR . 78.7 m-20 -125.22 41.58 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.973 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -160.1 146.37 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -153.51 119.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.654 ' NH1' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -92.4 105.48 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 93' ' ' PHE . 58.9 t -93.31 105.55 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 p -112.24 131.4 55.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 95' ' ' VAL . 48.9 p90 -130.76 -179.89 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.46 162.33 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 74' ' ' ASP . 10.6 tp -113.26 141.6 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -114.51 131.55 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.9 m -111.84 146.56 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -124.37 128.64 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.592 ' HD2' ' CZ2' ' A' ' 106' ' ' TRP . 6.6 ptm180 -128.26 140.03 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 40.2 p90 -147.82 130.1 15.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 2.5 tmm_? -136.63 142.71 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 19.2 p -39.55 145.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 11.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.971 0.415 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 23.3 tttt -91.5 161.11 15.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.447 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 69.3 p -155.2 134.24 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 72' ' ' SER . 6.2 mp0 -139.97 133.62 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.536 ' HB2' HD11 ' A' ' 55' ' ' LEU . 6.2 p-10 -89.03 121.31 31.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 t -145.56 144.93 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.6 p -90.69 -31.08 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.0 m -65.16 155.18 35.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.29 31.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 p -161.03 129.55 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -127.72 144.45 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 30' ' ' LEU . 8.3 m -108.75 113.9 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.557 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -86.4 96.13 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.8 p -95.78 150.85 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.0 49.59 5.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD21 ' HB1' ' A' ' 82' ' ' ALA . 6.4 mt -110.1 172.74 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 89' ' ' THR . 18.9 ttpt -88.85 136.01 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.72 154.44 67.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.1 p-10 48.78 31.97 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.402 HG21 ' HE2' ' A' ' 86' ' ' LYS . 5.1 m -135.48 127.68 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.423 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 66.7 ttp -102.13 153.38 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.5 176.27 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.713 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.3 tt0 -100.81 125.11 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.406 ' CD2' HG21 ' A' ' 37' ' ' VAL . 41.6 m-85 -111.38 147.3 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -154.33 151.04 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.615 HG12 ' HG3' ' A' ' 22' ' ' PRO . 39.3 t -125.82 144.51 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.581 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 22.3 ptm -142.42 -177.9 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -136.93 141.39 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -129.14 95.58 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.479 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 0.1 OUTLIER -126.07 153.22 44.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 8.9 m-20 68.61 38.39 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 54.3 38.93 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -154.06 141.9 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 3.6 p -101.11 144.22 30.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.7 t -76.51 163.05 27.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 78.6 m95 -89.26 143.42 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.412 ' OG ' HG21 ' A' ' 25' ' ' VAL . 79.9 p -70.55 -174.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -55.69 155.88 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.713 HG23 ' HG3' ' A' ' 92' ' ' GLU . 18.8 m -85.87 135.16 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.66 113.78 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -88.09 138.81 31.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.44 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -76.01 152.27 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 p -90.42 169.42 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.71 107.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 48.5 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -158.32 115.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.921 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.58 ' HG3' HG23 ' A' ' 105' ' ' THR . 53.8 Cg_endo -69.77 171.16 14.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.71 179.83 3.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.91 -177.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.32 50.83 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.23 120.94 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -123.47 125.17 44.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.96 100.62 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 40.5 t -88.41 135.15 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.49 110.18 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 36' ' ' ARG . 15.7 mt -81.01 -53.52 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.942 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.9 t -148.27 176.2 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -47.69 -43.84 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.721 ' H ' HG23 ' A' ' 31' ' ' THR . 62.9 m-20 -114.28 41.62 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.942 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.47 141.07 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.456 HG12 HG23 ' A' ' 37' ' ' VAL . 6.9 t -153.54 119.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.8 tpt180 -94.27 94.69 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.82 HG21 ' CD2' ' A' ' 93' ' ' PHE . 92.9 t -85.75 105.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -113.12 154.58 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.688 ' CE3' HG21 ' A' ' 95' ' ' VAL . 49.6 p90 -148.95 -175.11 4.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.5 156.58 41.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.4 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 74' ' ' ASP . 1.6 tp -136.27 147.52 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.458 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.2 m-85 -112.41 125.43 54.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.3 m -106.37 148.73 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.7 117.26 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 1.0 OUTLIER -114.94 144.35 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.443 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p90 -153.37 156.74 38.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.597 ' HG2' ' CE1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -172.27 152.02 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.503 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 3.3 p -34.6 135.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.811 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 44.5 tttt -75.99 165.24 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.921 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -159.53 138.67 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -137.8 148.74 45.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.749 ' HB3' HD11 ' A' ' 55' ' ' LEU . 78.3 m-20 -106.39 126.72 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.98 145.96 44.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -97.3 13.95 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 m -120.28 166.87 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -90.34 30.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -164.81 129.92 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -123.02 143.91 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -108.5 104.69 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.795 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -77.61 98.63 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.1 p -98.81 141.78 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.07 49.05 4.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.795 HD21 ' HB1' ' A' ' 82' ' ' ALA . 3.7 mt -106.95 179.11 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -93.59 136.0 24.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.569 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.7 Cg_endo -69.77 153.6 68.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 2.7 p-10 47.31 34.86 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 m -138.81 124.72 19.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 91' ' ' TYR . 41.2 ttp -100.05 153.0 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.44 ' N ' ' HG2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.13 -178.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 1.9 tt0 -103.29 125.43 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.82 ' CD2' HG21 ' A' ' 37' ' ' VAL . 59.5 m-85 -115.39 141.14 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.94 158.28 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.688 HG21 ' CE3' ' A' ' 39' ' ' TRP . 23.5 t -128.53 155.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.492 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 11.7 ptm -149.13 -177.33 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.409 HG13 ' CE ' ' A' ' 19' ' ' MET . 10.6 p -136.12 145.68 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 102' ' ' ARG . 77.4 m -130.26 115.15 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 12.9 ttpt -126.38 164.84 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 43.97 32.97 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.4 ttt180 62.84 42.7 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 98' ' ' THR . 4.9 ptm180 -147.64 152.81 38.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 p -103.13 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.531 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 80.5 p -93.2 -82.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 21' ' ' PRO . 7.1 t -176.72 170.91 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.492 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 60.9 m95 -94.02 147.13 23.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.2 p -91.01 -175.87 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 20.9 ptm -44.66 135.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.424 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 6.9 m -79.9 141.96 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.98 123.21 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -94.04 132.81 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -156.79 112.52 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.1 m -84.07 146.17 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -87.45 151.08 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -64.89 131.5 46.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.82 126.72 16.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.611 ' HE3' HG13 ' A' ' 97' ' ' VAL . 84.3 mmm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -137.98 105.19 8.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.16 15.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 177.49 5.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG23 ' H ' ' A' ' 24' ' ' GLY . 2.0 m -134.99 -54.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.505 ' H ' HG23 ' A' ' 23' ' ' VAL . . . -75.05 45.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 58.6 t -63.4 92.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -103.31 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.92 101.35 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . 61.9 t -91.54 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.21 111.21 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.571 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.9 mt -76.03 -55.8 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 1.04 HG22 ' HB3' ' A' ' 34' ' ' ALA . 5.2 t -147.37 177.05 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -44.5 -45.08 9.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.609 ' H ' HG23 ' A' ' 31' ' ' THR . 19.7 m-20 -115.3 44.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.04 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -157.03 132.81 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.88 114.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HB2' HD21 ' A' ' 30' ' ' LEU . 14.7 tpp85 -88.92 102.39 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 93' ' ' PHE . 48.4 t -88.99 113.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.4 p -120.73 132.03 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.686 ' CE2' HG11 ' A' ' 95' ' ' VAL . 39.3 p90 -126.9 173.03 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.79 136.3 54.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.9 tp -148.3 144.64 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.407 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 12.7 m-85 -117.32 133.69 55.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.4 m -109.22 145.15 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.4 t -126.6 123.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 37.6 ptt85 -126.64 144.56 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.579 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 38.8 p90 -150.9 131.23 13.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.572 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -133.42 144.26 49.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 p -44.09 130.33 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.883 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 7.2 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 11.7 tttp -96.42 157.31 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -157.29 139.87 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.86 170.4 15.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.662 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -120.49 125.43 47.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 138.57 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 p -93.61 30.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.5 m -140.4 161.88 36.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.68 34.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.8 p -163.49 137.44 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -137.22 143.07 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' CD1' ' A' ' 30' ' ' LEU . 7.4 m -104.29 114.99 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' ALA . . . -92.46 92.79 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -95.52 150.23 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.48 50.87 5.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mt -111.54 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.577 ' HD2' HG21 ' A' ' 89' ' ' THR . 1.9 ttmp? -82.04 131.49 56.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.453 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.7 154.41 67.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 20.1 p30 48.76 31.11 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.577 HG21 ' HD2' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -133.13 138.14 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.441 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 55.8 ttp -111.77 151.61 28.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -141.93 176.13 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.659 ' HB2' HG21 ' A' ' 109' ' ' THR . 3.6 pt-20 -101.76 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.9 m-85 -114.39 134.35 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -127.46 177.78 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.686 HG11 ' CE2' ' A' ' 39' ' ' TRP . 92.7 t -151.26 145.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -148.72 -179.97 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.611 HG13 ' HE3' ' A' ' 19' ' ' MET . 7.1 p -141.22 145.98 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.7 m -125.4 102.22 7.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 18.8 ttpt -125.34 152.03 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.455 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 15.2 m120 61.85 55.02 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.455 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER 39.86 38.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -155.56 141.0 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -96.28 153.96 17.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p -106.21 -174.91 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.0 t -82.86 158.94 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.401 ' CH2' ' HD3' ' A' ' 59' ' ' ARG . 74.8 m95 -80.7 155.21 26.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.9 t -99.37 174.69 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ptm -45.94 127.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.659 HG21 ' HB2' ' A' ' 92' ' ' GLU . 20.6 m -75.78 146.45 39.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -111.44 159.72 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -119.48 150.08 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.435 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -167.33 121.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 m -94.42 136.33 34.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -79.81 158.21 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -67.96 153.93 42.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.0 112.2 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -109.62 176.27 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -84.27 47.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.24 138.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -166.87 131.93 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t 49.47 45.57 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.95 75.25 0.28 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -149.72 132.58 8.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.72 28.61 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 m -97.37 -62.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 t -137.71 134.6 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.94 115.16 2.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 161.04 47.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 59.36 52.62 5.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.52 116.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -102.93 61.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 p -117.87 148.94 44.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 4.45 2.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.6 mmm -130.06 169.57 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -141.11 105.37 6.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.8 169.79 18.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.311 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.06 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -144.94 -178.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.58 39.19 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.26 114.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -113.58 146.3 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.29 101.48 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.2 t -94.5 136.28 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.57 114.74 27.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 36' ' ' ARG . 5.5 mt -81.99 -53.47 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.917 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.7 t -144.99 176.31 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -46.64 -41.72 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.774 ' H ' HG23 ' A' ' 31' ' ' THR . 87.8 m-20 -117.77 40.71 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.917 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.55 131.28 12.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -143.56 113.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.539 ' HB2' HD21 ' A' ' 30' ' ' LEU . 8.4 tpp85 -86.76 107.64 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.734 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.6 t -94.61 105.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 p -111.73 142.01 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CE3' HG21 ' A' ' 95' ' ' VAL . 47.7 p90 -142.32 -178.7 5.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.62 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.95 123.4 46.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.91 -55.37 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t -41.56 -37.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 HE21 ' A' ' 48' ' ' GLN . 48.6 t -104.13 110.71 64.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.711 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.66 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.355 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.28 -59.44 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -121.59 126.87 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.402 HE21 HG13 ' A' ' 44' ' ' VAL . 1.5 tm0? -172.51 137.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -132.28 109.88 10.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -116.49 152.81 33.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 t -96.62 28.86 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.21 149.96 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.646 HG22 ' H ' ' A' ' 54' ' ' ARG . 7.2 p -88.82 171.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.646 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -173.94 143.49 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.4 tp -133.77 134.09 42.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -100.8 125.29 47.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 m -107.65 149.31 28.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.0 t -128.82 127.03 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 7.3 ptp180 -126.13 147.84 49.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.487 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 46.5 p90 -157.82 145.2 18.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -149.55 154.98 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.57 119.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -74.61 118.92 18.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 72.03 49.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 t -129.82 123.9 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.26 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 t -87.77 74.67 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.71 149.24 28.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -121.77 135.25 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CZ ' ' HG2' ' A' ' 61' ' ' ARG . 6.3 m-85 -86.17 119.15 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 10.2 tttp -88.43 167.58 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.5 p -156.79 127.89 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -132.32 152.17 51.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.648 ' HB2' HD11 ' A' ' 55' ' ' LEU . 6.9 p-10 -105.8 127.23 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 75' ' ' THR . 13.3 t -146.33 127.37 14.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.4 p -85.63 24.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.4 m -126.74 170.77 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 38.7 mt -95.9 23.92 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 p -156.88 129.9 7.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -128.44 144.67 51.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.435 HG23 HD11 ' A' ' 30' ' ' LEU . 3.8 m -105.16 111.14 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -81.91 101.58 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.3 p -103.7 155.41 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.87 50.99 8.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.605 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -110.23 -175.49 2.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -100.52 134.67 20.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 54.3 Cg_endo -69.75 148.86 66.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.09 27.37 11.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 m -132.31 137.07 47.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.0 ttp -109.28 152.2 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.11 173.32 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.4 tt0 -101.93 125.39 48.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.734 ' CD2' HG21 ' A' ' 37' ' ' VAL . 12.8 m-85 -111.61 147.93 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.15 149.27 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG21 ' CE3' ' A' ' 39' ' ' TRP . 47.4 t -121.25 152.06 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 18.1 ptm -149.24 -175.05 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 9.0 p -146.01 150.13 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 102' ' ' ARG . 47.4 m -128.22 94.71 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 36.9 ttmt -120.93 152.39 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.8 t30 71.3 32.29 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 62.25 25.65 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 98' ' ' THR . 10.3 ptm180 -144.33 156.86 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -105.85 145.12 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.5 p -101.87 -175.62 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.5 t -81.33 159.68 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.1 m95 -80.38 154.74 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.5 t -90.52 177.21 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.6 ptm -44.26 141.35 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 3.2 m -82.68 153.57 25.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.98 127.84 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -93.94 144.14 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -168.64 109.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.4 m -83.88 152.44 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -90.91 156.8 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -73.36 148.05 43.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.63 121.96 14.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . -56.58 172.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t 58.85 39.36 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 116.63 116.01 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.8 18.23 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -44.77 136.9 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.8 p -126.14 170.12 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 p -122.3 -53.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 p -113.65 -0.27 14.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.41 162.86 33.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -98.11 169.62 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -111.96 172.0 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.4 -36.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.574 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 72.0 t80 50.52 46.3 3.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 8' ' ' PHE . 54.0 Cg_endo -69.75 -3.25 11.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -87.88 152.93 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -66.36 161.14 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -51.34 145.89 13.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 148.68 65.81 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.93 176.39 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.9 mt -108.39 167.86 9.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m 43.38 39.17 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 p -97.94 151.18 37.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.606 0.717 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.7 Cg_endo -69.76 -176.3 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.508 ' HE3' HG13 ' A' ' 97' ' ' VAL . 72.1 mmm -35.67 139.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -101.07 118.81 59.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.733 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' HD22 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.77 165.91 29.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.746 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.1 Cg_endo -69.73 177.98 5.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.1 -175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 30.92 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.726 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 77.7 t -59.3 105.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.105 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -112.44 159.1 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -128.84 99.76 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' ARG . 10.7 t -87.59 134.21 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.1 112.03 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.562 ' CD1' HG23 ' A' ' 81' ' ' THR . 12.5 mt -82.64 -56.46 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.867 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -148.94 176.53 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -42.57 -53.94 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.514 ' H ' HG23 ' A' ' 31' ' ' THR . 66.6 m-20 -108.17 43.86 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.867 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -155.79 133.19 10.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -146.73 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.6 tpp180 -89.14 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.9 t -93.97 112.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.7 p -122.11 134.84 54.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.79 ' CE2' HG11 ' A' ' 95' ' ' VAL . 27.0 p90 -127.29 179.25 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.12 161.92 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -118.45 105.46 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.84 -1.71 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -90.69 23.67 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.35 100.74 15.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -68.08 -66.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.87 114.09 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -155.13 112.39 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -132.98 50.07 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.9 p -114.28 155.05 26.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -100.82 77.39 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -115.92 119.66 36.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' C ' ' HD2' ' A' ' 54' ' ' ARG . 87.5 t -101.97 152.12 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -163.66 147.07 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.1 tp -101.93 149.07 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.471 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.0 m-85 -114.74 137.29 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -116.53 151.64 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.12 117.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.639 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 6.3 ptm180 -111.9 148.64 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.456 ' CZ2' ' CD ' ' A' ' 71' ' ' LYS . 48.4 p90 -153.89 126.84 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.668 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 7.0 tmm_? -133.86 139.6 46.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.429 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 3.1 p -43.16 132.71 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -87.36 139.05 30.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 62.31 27.94 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 p -93.84 -175.96 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.03 131.75 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.4 m 58.9 43.17 18.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.668 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -106.64 161.06 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -110.56 153.21 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 10.4 m-85 -92.51 143.26 26.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' CD ' ' CZ2' ' A' ' 60' ' ' TRP . 13.4 ttmt -107.49 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -160.87 152.52 19.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -151.41 147.16 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.1 p-10 -101.45 124.4 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -137.56 135.6 36.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -89.0 36.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -146.44 164.86 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 60.9 mt -87.51 32.18 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 p -162.64 144.04 10.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -144.05 144.31 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.562 HG23 ' CD1' ' A' ' 30' ' ' LEU . 4.2 m -104.47 113.03 26.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.665 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -86.52 97.72 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -97.44 158.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.37 54.29 11.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.1 mt -112.92 -174.89 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -97.68 132.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.79 155.89 64.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.4 p-10 47.62 36.49 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m -140.59 141.25 35.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.533 ' HB2' HG23 ' A' ' 113' ' ' THR . 48.7 ttp -115.48 149.76 37.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -137.06 179.86 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.875 ' HB2' HG21 ' A' ' 109' ' ' THR . 2.6 pt-20 -107.08 125.56 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 109' ' ' THR . 10.0 m-85 -112.87 159.19 19.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -153.36 175.73 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 39' ' ' TRP . 64.1 t -147.27 137.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 23.5 ptm -140.09 -174.99 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.508 HG13 ' HE3' ' A' ' 19' ' ' MET . 13.2 p -148.43 144.14 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -119.74 96.11 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -125.14 148.43 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 21.4 t30 70.76 47.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 4.4 ptm180 48.46 31.17 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -148.11 149.56 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -95.97 151.16 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 105' ' ' THR . 28.3 t -100.64 -179.51 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.401 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.3 t -89.85 163.02 15.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.61 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 54.4 m95 -85.91 134.25 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' MET . 17.4 t -82.2 170.36 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . 5.6 ptm -35.79 129.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.875 HG21 ' HB2' ' A' ' 92' ' ' GLU . 6.4 m -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -102.19 148.7 25.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -106.4 153.78 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -174.6 112.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.2 m -84.75 151.32 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -94.41 154.34 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.49 144.59 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -58.02 134.5 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.46 49.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.9 t -133.44 92.88 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.33 119.07 8.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.534 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.57 6.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.4 p -67.17 92.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.1 m -47.09 100.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -166.34 173.14 10.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 p -87.51 168.08 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.16 -152.91 27.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -173.8 124.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -109.72 170.95 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.0 -135.44 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.519 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 15.3 t80 -171.36 139.53 1.19 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 8' ' ' PHE . 53.4 Cg_endo -69.76 123.77 10.42 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.7 m -122.87 111.19 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -95.72 142.83 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.07 137.28 22.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 88.33 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -74.99 168.61 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.32 160.82 6.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -107.75 113.24 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.58 151.14 77.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.95 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.584 ' HE3' HG13 ' A' ' 97' ' ' VAL . 76.4 mmm -88.66 155.46 19.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.44 105.07 49.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 105' ' ' THR . 53.5 Cg_endo -69.76 170.09 17.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.73 177.85 5.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.62 -178.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.64 42.19 13.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.05 117.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.53 125.62 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.28 98.56 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.96 137.3 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.44 109.62 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.3 mt -79.19 -54.89 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.968 HG22 ' HB3' ' A' ' 34' ' ' ALA . 3.3 t -149.18 176.56 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -47.38 -42.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.706 ' H ' HG23 ' A' ' 31' ' ' THR . 5.3 p-10 -115.5 45.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.968 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -158.85 138.9 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 t -152.94 114.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.7 tpt180 -93.28 97.17 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.726 HG21 ' CD2' ' A' ' 93' ' ' PHE . 59.1 t -84.18 109.91 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -111.2 138.9 47.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.601 ' CE2' HG11 ' A' ' 95' ' ' VAL . 45.0 p90 -136.77 173.44 11.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.24 167.81 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.5 121.17 22.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -117.04 38.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.5 p -117.47 28.04 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 44' ' ' VAL . 3.1 p -141.71 106.13 5.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' ASN . 53.7 Cg_endo -69.79 -162.9 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.327 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' ASN . 27.1 tttp -30.89 92.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 45' ' ' PRO . 17.8 t-20 28.05 46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' CB ' ' HG2' ' A' ' 45' ' ' PRO . 14.3 tp60 -96.11 76.62 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -55.71 168.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 50' ' ' THR . 8.5 t -107.47 123.43 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -62.03 -45.13 94.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.48 129.83 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -63.38 123.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 171.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -150.82 144.23 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.905 ' N ' HD22 ' A' ' 55' ' ' LEU . 6.9 m-85 -116.6 122.68 45.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 58' ' ' VAL . 25.3 m -101.77 155.96 17.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.423 ' N ' HG22 ' A' ' 57' ' ' THR . 45.2 t -139.93 123.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -115.25 157.99 22.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.541 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 41.0 p90 -167.5 144.98 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -162.33 154.72 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p -40.64 126.23 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m -85.4 126.22 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 66.33 44.05 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -128.37 157.65 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -92.69 164.9 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' ALA . 1.8 t 34.23 50.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.19 128.91 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -88.0 136.01 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 6.4 m-85 -87.09 106.89 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 43.6 tttt -77.61 161.23 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 m -161.48 142.54 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.4 147.69 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.81 118.05 35.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -134.7 134.47 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.1 p -89.74 31.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 p -128.28 171.92 11.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -95.12 22.67 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.475 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 82.4 p -161.34 142.13 11.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -132.56 140.48 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -104.82 107.84 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -85.75 99.16 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.9 p -100.38 155.44 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.09 52.83 8.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.651 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -110.46 -178.78 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.466 ' HD2' HG21 ' A' ' 89' ' ' THR . 2.3 ttmp? -87.2 128.93 53.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.9 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.73 46.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 t30 60.44 35.07 20.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.466 HG21 ' HD2' ' A' ' 86' ' ' LYS . 1.9 m -139.4 134.27 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.419 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 24.3 ttp -104.23 151.08 23.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -137.76 179.16 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.493 ' HG3' HG23 ' A' ' 109' ' ' THR . 0.9 OUTLIER -100.91 125.3 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.726 ' CD2' HG21 ' A' ' 37' ' ' VAL . 46.6 m-85 -116.48 144.76 43.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -153.77 170.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' A' ' 39' ' ' TRP . 43.3 t -142.55 150.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -146.16 -176.03 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.584 HG13 ' HE3' ' A' ' 19' ' ' MET . 9.3 p -142.99 140.75 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.4 m -119.05 94.91 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -126.04 142.99 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER 74.96 47.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 3.8 ptm180 46.68 36.02 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -151.99 144.82 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.3 p -95.47 141.72 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 105' ' ' THR . 12.2 t -95.37 -179.0 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 104' ' ' SER . 8.2 t -87.67 152.35 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -72.16 146.6 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -84.35 -174.85 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 19.1 ptm -47.5 140.05 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.493 HG23 ' HG3' ' A' ' 92' ' ' GLU . 51.9 m -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.01 123.33 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -92.87 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.412 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -163.86 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -81.05 142.01 33.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -81.28 158.53 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.7 153.64 38.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -70.41 116.77 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.06 175.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.1 t -96.69 154.86 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.97 -147.7 5.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.1 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.9 t -111.21 43.28 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -65.49 156.32 32.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 p -103.92 163.14 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -72.3 -52.79 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.81 140.84 2.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -157.81 157.75 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 m -118.87 119.68 35.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -75.56 93.42 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.8 p90 -34.52 145.78 0.17 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.47 3.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.4 m -104.38 -51.21 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 m -72.83 176.3 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -82.89 134.8 46.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.74 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 114.91 3.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -143.2 166.01 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.89 178.34 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t 61.0 40.03 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -124.0 147.31 53.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.54 0.686 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.4 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.522 ' HE2' HG13 ' A' ' 97' ' ' VAL . 14.3 mtp -48.37 169.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.94 114.77 11.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 160.78 48.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.73 169.87 17.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -131.69 179.64 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.36 45.99 16.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -70.5 118.62 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.771 ' OE1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -121.96 137.93 54.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.78 101.11 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.771 HG23 ' OE1' ' A' ' 26' ' ' GLN . 99.2 t -92.43 141.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.9 115.3 30.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.54 ' CD1' HG23 ' A' ' 81' ' ' THR . 14.4 mt -81.85 -53.47 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.916 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -146.61 176.1 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 37.1 p-80 -44.94 -45.63 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.702 ' H ' HG23 ' A' ' 31' ' ' THR . 19.8 p-10 -115.23 41.24 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.916 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.32 130.76 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 3.0 t -142.11 119.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' VAL . 13.5 tpp180 -93.82 105.78 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.818 HG21 ' CD2' ' A' ' 93' ' ' PHE . 44.7 t -100.81 112.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -125.59 132.98 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.734 ' CE2' HG11 ' A' ' 95' ' ' VAL . 14.1 p90 -120.86 -174.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.98 146.81 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -102.37 114.58 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -113.27 26.06 10.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.3 m -112.66 37.85 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.6 t -122.23 83.78 45.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.24 57.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 162.16 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 50.11 38.58 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.29 128.47 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -63.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 p -63.97 106.09 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 m -108.11 75.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -93.89 113.17 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.8 t -44.56 132.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.59 144.87 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 74' ' ' ASP . 4.3 tp -104.64 143.15 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -118.2 131.79 56.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -111.05 153.06 26.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.171 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.9 t -132.44 114.41 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 7.7 ptm180 -109.54 150.51 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.497 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 43.2 p90 -159.57 145.32 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -157.8 147.3 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 2.9 p -33.85 127.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 p -78.43 118.69 20.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 64.83 54.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -118.7 122.37 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -40.65 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.4 m -110.44 120.7 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.17 151.6 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -100.76 142.72 31.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 5.7 m-85 -84.81 110.52 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 39.1 tttt -77.04 166.39 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.04 142.51 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -145.55 132.61 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.553 ' HB3' HD11 ' A' ' 55' ' ' LEU . 79.3 m-20 -87.85 139.63 30.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -151.3 140.12 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -92.81 31.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 167.92 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -93.44 25.64 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -153.92 133.03 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -131.93 150.22 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 30' ' ' LEU . 11.7 m -115.77 97.74 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.612 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -73.17 105.05 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 p -105.35 159.02 16.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.92 48.57 20.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -107.06 -175.07 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 22.5 ttmt -96.82 133.92 23.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 150.53 67.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 t30 51.74 27.1 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.8 m -133.22 132.04 41.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 14.3 tmm? -104.62 152.42 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -136.83 -174.14 3.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 92.1 mt-10 -100.07 144.75 28.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.818 ' CD2' HG21 ' A' ' 37' ' ' VAL . 72.9 m-85 -134.02 135.86 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -143.94 -177.83 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.734 HG11 ' CE2' ' A' ' 39' ' ' TRP . 58.6 t -154.97 144.87 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -147.11 172.68 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.522 HG13 ' HE2' ' A' ' 19' ' ' MET . 4.1 p -137.85 141.56 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.8 m -119.45 95.87 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 19.9 ttpt -126.0 144.52 50.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 6.2 t-20 74.29 47.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 21.7 ptt180 47.84 30.99 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 7.0 ptp180 -148.65 146.09 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 p -103.91 141.89 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -93.85 -174.95 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.9 t -88.68 158.51 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.576 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 55.4 m95 -80.66 138.84 36.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' MET . 41.2 t -77.71 170.01 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' SER . 3.3 ptm -34.74 151.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.3 m -96.23 135.48 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 127.28 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.456 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 5.6 m-70 -93.2 135.99 33.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.89 119.01 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -87.47 154.32 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 p -94.9 160.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -71.31 155.38 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.58 117.8 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.85 -42.39 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 t -126.02 82.44 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -176.2 83.71 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 121' ' ' SER . 54.3 Cg_endo -69.77 -5.24 15.73 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 120' ' ' PRO . 90.3 p -36.14 -54.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 t -95.88 130.48 42.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -109.62 111.03 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -152.13 124.21 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.35 -138.96 12.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -148.36 162.81 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -40.31 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.67 -140.23 2.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -53.77 113.38 4.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 175.59 7.94 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 p -137.34 155.7 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -150.72 145.4 25.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -38.76 150.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.99 29.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.14 163.17 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.2 mt 40.05 42.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.8 p -65.35 174.2 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 p -146.23 149.12 37.18 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.547 0.689 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 4.53 2.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.46 ' HE3' HG13 ' A' ' 97' ' ' VAL . 81.6 mmm -129.95 160.06 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.24 115.42 13.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 169.41 18.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.97 8.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.04 -178.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.72 41.84 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG21 ' OG ' ' A' ' 107' ' ' SER . 5.2 t -72.86 125.02 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -133.32 132.66 41.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 112' ' ' ALA . . . -103.15 104.5 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 3.3 t -91.31 130.02 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.57 109.57 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 36' ' ' ARG . 15.2 mt -81.07 -53.29 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.972 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.4 t -148.34 176.02 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -46.07 -46.78 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.682 ' H ' HG23 ' A' ' 31' ' ' THR . 16.0 p30 -113.91 41.95 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.972 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.37 134.9 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG12 HG23 ' A' ' 37' ' ' VAL . 10.9 t -148.03 118.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.652 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.8 tpt180 -93.21 96.06 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.609 HG21 ' CD2' ' A' ' 93' ' ' PHE . 57.8 t -88.1 111.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.68 152.56 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.444 ' CE2' HG11 ' A' ' 95' ' ' VAL . 33.4 p90 -143.79 -179.52 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.18 157.99 20.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -113.18 105.81 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 p -85.36 43.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.41 127.34 21.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 129.68 18.04 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.58 158.67 33.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.1 38.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -78.24 145.12 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -118.39 -58.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.92 113.41 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.9 p -148.85 145.15 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.1 143.94 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 t -58.01 144.12 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.84 149.36 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.3 tp -129.06 144.3 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.51 139.15 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 58' ' ' VAL . 8.2 m -121.29 157.52 30.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' THR . 11.0 t -136.53 123.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 70' ' ' TYR . 6.9 ptm180 -114.56 149.78 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 33.7 p90 -168.27 142.13 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 70' ' ' TYR . 7.0 ptt85 -159.58 157.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.439 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 7.1 p -36.56 134.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -77.75 139.6 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 41.66 46.9 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 142.47 29.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.16 -64.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -122.9 121.0 35.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.35 141.37 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -95.92 121.62 37.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 59' ' ' ARG . 4.0 m-85 -57.55 135.48 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 28.2 tttt -89.57 165.67 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 p -157.63 126.42 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 7.4 tm-20 -130.34 130.88 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -87.88 123.36 32.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -143.28 143.31 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -101.16 23.52 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -121.03 163.88 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 17.0 mt -89.32 10.47 22.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -148.27 133.86 18.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' A' ' 73' ' ' GLU . 81.0 t80 -128.7 149.2 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.501 HG23 ' CD1' ' A' ' 30' ' ' LEU . 5.8 m -115.39 101.87 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.796 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -76.14 100.43 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -96.94 150.01 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.88 52.97 6.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.796 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.7 mt -107.4 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.356 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 21.6 tttp -92.65 130.41 37.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.51 38.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.2 t30 59.32 35.96 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -139.48 124.1 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -95.61 150.88 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.45 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -136.9 174.76 10.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 109' ' ' THR . 1.1 tt0 -103.1 125.05 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.609 ' CD2' HG21 ' A' ' 37' ' ' VAL . 44.5 m-85 -114.74 146.47 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -153.52 145.18 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 39' ' ' TRP . 11.3 t -114.58 155.27 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -151.29 -175.02 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG13 ' HE3' ' A' ' 19' ' ' MET . 3.7 p -143.3 143.13 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 102' ' ' ARG . 51.6 m -124.58 95.54 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -123.94 160.98 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 64.99 31.91 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 62.81 25.6 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 2.6 ptm85 -143.79 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 p -106.62 144.31 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.6 p -101.78 -178.88 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 t -76.92 169.81 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 84.4 m95 -88.62 161.24 17.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.477 ' OG ' HG21 ' A' ' 25' ' ' VAL . 90.2 p -98.67 179.87 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.8 ptm -47.23 129.52 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 110' ' ' ALA . 49.2 m -71.22 157.58 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 109' ' ' THR . . . -130.04 116.42 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.99 133.63 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . . . -153.23 111.98 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.3 m -83.23 151.23 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.8 p -92.89 161.04 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -77.61 146.51 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.61 110.5 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.64 -50.06 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -55.96 -49.68 72.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 120' ' ' PRO . . . -149.69 100.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 119' ' ' GLY . 53.6 Cg_endo -69.78 168.14 22.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m -72.59 105.04 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.6 t -110.17 105.09 14.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.472 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.5 t -92.29 54.0 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.2 t 36.5 43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.29 44.75 1.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -126.96 42.33 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.393 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -170.6 174.94 4.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 -170.03 1.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -155.39 105.86 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 54.1 Cg_endo -69.71 90.66 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.725 2.283 . . . . 0.0 112.386 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.6 m -80.94 -48.14 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.33 82.19 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.5 m -128.36 118.7 20.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.588 0.709 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.65 2.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.2 p-10 -132.68 44.45 2.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.82 178.74 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.8 p -47.51 174.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -122.13 145.07 43.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.8 Cg_endo -69.8 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' HG13 ' A' ' 97' ' ' VAL . 28.2 mmm -37.52 154.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.3 OUTLIER -104.81 105.51 51.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.674 0.749 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.86 169.93 17.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.73 2.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.6 -176.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.76 37.87 7.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 21.9 t -69.6 110.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 111.082 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -116.89 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.02 101.06 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -90.31 132.82 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.15 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.55 -54.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.946 HG22 ' HB3' ' A' ' 34' ' ' ALA . 2.9 t -147.06 176.44 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -50.06 -36.64 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.851 ' H ' HG23 ' A' ' 31' ' ' THR . 82.9 m-20 -120.51 42.43 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.946 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -157.02 139.98 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 t -153.36 119.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -93.8 104.52 16.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 93' ' ' PHE . 31.5 t -98.62 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.9 m -118.86 132.05 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.642 ' CD2' HG21 ' A' ' 95' ' ' VAL . 21.4 p90 -121.56 -175.72 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.47 147.95 46.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -94.99 125.68 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -123.89 -17.54 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.509 ' HB3' HD12 ' A' ' 20' ' ' LEU . 78.8 p -84.9 37.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.9 p -173.62 124.84 0.43 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 111.169 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -86.21 -39.42 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 1.8 p-10 -76.68 46.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 3.0 tt0 -177.07 150.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 48' ' ' GLN . 11.4 mptt -106.24 173.89 6.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.64 115.99 28.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.4 t -89.84 -62.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' CB ' ' HD2' ' A' ' 99' ' ' LYS . 1.1 mp0 -64.28 121.49 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.75 133.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.53 168.09 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 74' ' ' ASP . 5.0 tp -148.83 149.99 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.431 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -120.66 118.41 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.4 m -99.94 149.66 23.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.78 126.04 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -121.1 152.63 38.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 46.1 p90 -165.43 132.27 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.831 ' NE ' ' HB1' ' A' ' 68' ' ' ALA . 11.0 tpt180 -165.02 158.06 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.487 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.5 p -31.43 135.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -85.21 139.06 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 62.92 25.9 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -115.18 81.33 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.28 -70.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 m -73.23 101.13 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.831 ' HB1' ' NE ' ' A' ' 61' ' ' ARG . . . -174.43 125.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -68.32 112.82 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.604 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 4.1 m-85 -82.28 140.35 33.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -86.41 165.66 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 p -160.68 123.11 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.6 145.93 49.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.842 ' HB2' HD11 ' A' ' 55' ' ' LEU . 4.1 p30 -102.13 116.36 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -137.6 149.83 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.5 p -102.55 6.57 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -104.63 166.02 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.0 mt -96.32 29.2 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -157.93 129.84 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -136.98 140.5 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 m -104.46 119.88 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.647 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -92.52 97.27 10.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.1 p -97.62 156.12 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.97 52.03 9.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.647 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.5 mt -109.75 -176.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.5 ttpt -97.28 130.76 28.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.423 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.77 144.52 54.24 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 61.6 25.62 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.2 m -131.72 128.38 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.416 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 36.1 ttp -100.48 152.43 20.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -137.06 174.74 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -101.19 125.4 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.765 ' CD2' HG21 ' A' ' 37' ' ' VAL . 56.8 m-85 -112.23 137.78 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.97 146.93 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.642 HG21 ' CD2' ' A' ' 39' ' ' TRP . 47.1 t -117.4 145.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -140.81 168.7 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.565 HG13 ' HE2' ' A' ' 19' ' ' MET . 5.5 p -128.86 140.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -124.23 96.33 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' HD2' ' CB ' ' A' ' 52' ' ' GLU . 20.3 ttpp -125.76 161.79 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.03 31.81 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 62.4 32.08 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -150.78 151.74 32.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 p -101.28 143.37 31.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 59.5 p -97.41 -174.72 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 t -84.72 159.25 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -81.6 139.0 35.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.0 t -79.54 176.97 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 16.8 ptm -41.81 146.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 m -97.48 147.72 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -116.34 122.74 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -89.44 135.42 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.18 107.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -79.61 144.32 33.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.3 p -82.51 146.85 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -63.47 151.93 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -67.24 115.57 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . -47.34 -49.94 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.4 p -71.72 122.19 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.68 147.37 14.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.45 17.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.5 m -84.0 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.8 m -45.28 139.8 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.8 t -86.29 -19.86 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.918 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' SER . 15.3 m 37.3 51.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.47 82.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -150.24 135.85 18.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -91.08 161.44 15.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.75 76.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -173.31 146.22 1.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.5 p -69.94 88.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -167.26 166.08 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG22 ' H ' ' A' ' 14' ' ' ASP . 10.3 p -88.75 121.41 69.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 4.92 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 12' ' ' VAL . 44.5 m-20 50.36 32.78 6.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 17' ' ' THR . 30.3 mt -60.84 -45.29 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t 45.93 47.76 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 15' ' ' LEU . 82.2 p -116.75 145.27 35.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.59 2.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 82.3 mmm -126.77 166.55 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -133.99 115.07 13.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.629 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 -178.87 2.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.9 m -144.64 -177.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.79 44.41 17.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.678 HG21 ' OG ' ' A' ' 107' ' ' SER . 14.5 t -74.12 109.63 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -113.14 134.69 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.45 101.61 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' ARG . 20.7 t -90.09 134.63 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.72 108.89 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.6 mt -78.39 -53.99 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.901 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.72 176.14 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -44.79 -46.61 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.683 ' H ' HG23 ' A' ' 31' ' ' THR . 6.5 p30 -114.21 41.26 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.901 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.35 132.99 13.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 t -145.29 115.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.3 tpp180 -86.25 100.0 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.672 HG21 ' CD2' ' A' ' 93' ' ' PHE . 86.0 t -90.97 109.05 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.05 153.04 35.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.545 ' CE2' HG11 ' A' ' 95' ' ' VAL . 36.5 p90 -146.78 -177.69 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.96 170.67 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.0 p-10 -131.46 116.31 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.61 19.28 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.3 t -98.45 14.58 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -138.56 115.27 8.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.61 3.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -82.55 156.91 23.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 43.11 50.64 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -122.58 126.21 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -88.27 106.35 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 119.93 21.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -104.57 -43.15 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 2.8 mp0 -77.31 109.0 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.606 HG22 ' H ' ' A' ' 54' ' ' ARG . 2.3 p -51.19 172.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -161.15 153.55 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.3 tp -134.46 135.88 42.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.12 134.02 44.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 m -112.03 141.6 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.68 118.17 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.605 ' NH2' ' CD1' ' A' ' 106' ' ' TRP . 19.5 ptt180 -122.38 148.91 44.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.442 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.1 p90 -149.56 130.29 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.649 ' HE ' ' N ' ' A' ' 70' ' ' TYR . 5.8 tpp85 -130.62 143.56 50.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -47.95 135.08 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -89.97 119.8 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 68.5 49.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.21 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.01 -47.42 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.1 p -145.66 110.5 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.546 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . . . -150.27 177.64 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 138.62 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.649 ' N ' ' HE ' ' A' ' 61' ' ' ARG . 11.6 m-85 -74.49 117.75 16.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 34.2 tttt -78.63 154.53 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.7 p -147.42 132.24 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -142.16 139.79 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.582 ' HB2' HD11 ' A' ' 55' ' ' LEU . 2.0 p30 -88.89 134.32 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -149.96 128.72 12.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.8 p -93.59 36.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . 27.8 m -140.06 169.0 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.5 mt -94.49 24.91 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -157.74 131.24 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -131.82 151.06 51.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.644 HG23 ' CD1' ' A' ' 30' ' ' LEU . 4.4 m -113.08 102.76 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.639 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -76.61 99.12 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 p -102.12 154.4 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.8 48.25 10.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.639 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.1 mt -108.85 -174.72 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 89' ' ' THR . 16.6 ttpp -97.37 134.12 23.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 156.48 63.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.6 p-10 45.08 37.79 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.6 HG21 ' HE3' ' A' ' 86' ' ' LYS . 1.6 m -143.09 126.06 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.401 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 12.2 tmm? -101.93 152.58 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.4 OUTLIER -138.26 -179.89 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' HG2' HG23 ' A' ' 109' ' ' THR . 0.0 OUTLIER -100.77 125.98 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.672 ' CD2' HG21 ' A' ' 37' ' ' VAL . 57.2 m-85 -115.04 150.76 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -153.52 -178.53 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.629 HG12 ' HG3' ' A' ' 22' ' ' PRO . 64.9 t -152.43 145.44 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 103' ' ' SER . 5.5 ppp? -149.43 -176.2 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.84 144.27 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.3 m -115.49 97.97 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.57 154.09 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 49.5 m-20 63.54 40.55 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 54.57 28.62 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.46 145.59 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 17.2 p -94.03 137.13 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 105' ' ' THR . 11.1 t -87.91 179.3 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.447 ' N ' ' OG ' ' A' ' 104' ' ' SER . 11.7 t -79.57 172.68 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.605 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 76.0 m95 -95.64 145.24 25.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.678 ' OG ' HG21 ' A' ' 25' ' ' VAL . 96.4 p -81.18 -176.53 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.5 ptm -51.17 145.04 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.452 HG23 ' HG2' ' A' ' 92' ' ' GLU . 23.6 m -82.3 137.48 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.38 122.82 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -92.15 141.35 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.67 114.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 m -86.05 148.6 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.8 p -87.47 164.63 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -72.61 149.3 44.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.01 108.49 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.91 7.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -102.25 86.14 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -176.13 74.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -12.24 32.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -121.76 120.73 35.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -123.16 43.35 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -129.51 160.22 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -117.57 137.26 52.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.88 46.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -142.19 166.13 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -65.05 153.44 40.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.97 -114.62 1.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.462 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.7 m-85 50.74 53.25 13.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' SER . 53.5 Cg_endo -69.81 -2.67 10.6 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.8 p -57.25 80.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' PRO . 6.3 m -146.91 140.47 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.14 113.87 43.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -154.58 137.4 15.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.5 -49.39 60.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -114.75 172.4 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 p -131.76 149.41 73.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.112 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.581 ' HE2' HG13 ' A' ' 97' ' ' VAL . 13.5 mtp -48.1 167.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -127.47 115.06 21.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.932 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.428 ' N ' HD13 ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.74 160.77 48.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.69 -176.81 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.95 -175.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.32 29.04 6.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 25' ' ' VAL . 2.5 t -60.62 111.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.311 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.98 123.07 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 97.56 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.9 t -92.61 136.03 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.23 112.9 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.1 mt -78.63 -52.42 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.896 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.54 175.97 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -44.75 -47.34 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.667 ' H ' HG23 ' A' ' 31' ' ' THR . 6.6 p-10 -113.17 42.18 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.896 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -154.11 132.93 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -144.97 117.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tpp85 -90.11 111.62 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG21 ' HD2' ' A' ' 93' ' ' PHE . 48.5 t -99.06 106.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -116.21 133.57 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.485 ' CE3' HG21 ' A' ' 95' ' ' VAL . 37.5 p90 -129.49 173.49 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.99 151.17 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 14.4 p-10 -104.64 128.3 52.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -123.98 -24.42 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.2 p -84.42 41.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 44' ' ' VAL . 3.0 p -139.01 109.49 7.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.33 9.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -62.96 157.05 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.464 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 21.9 t-20 64.07 51.73 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -100.61 122.93 44.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -61.22 2.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 p -106.75 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.4 p -137.27 148.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -87.14 142.81 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.23 130.68 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -127.02 155.44 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.7 tp -131.0 142.45 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.54 128.55 55.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -109.15 150.53 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.59 124.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HG2' ' CH2' ' A' ' 106' ' ' TRP . 0.2 OUTLIER -132.04 144.89 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 24.0 p90 -148.83 139.51 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.721 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 7.5 tmm_? -136.23 139.52 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 65' ' ' SER . 4.7 p -36.16 137.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 91' ' ' TYR . 37.2 m -79.16 128.93 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 55.47 46.51 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 62' ' ' THR . 91.0 p -100.78 -176.27 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.41 128.87 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m 62.43 33.06 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -94.42 173.59 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.23 158.56 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 9.9 m-85 -105.19 128.35 53.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -84.67 169.96 13.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -161.38 138.94 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -145.26 151.32 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.1 p-10 -103.79 127.14 51.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -144.37 130.86 19.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 p -90.79 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -135.72 164.59 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 18.7 mt -90.25 30.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -161.9 130.48 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -133.82 140.87 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 ' CD1' ' A' ' 30' ' ' LEU . 11.9 m -101.37 108.73 20.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.01 103.46 10.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -104.0 150.26 24.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.77 49.15 5.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mt -107.88 177.02 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttmm -92.22 133.13 30.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.83 63.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 t30 53.98 27.88 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -132.27 132.43 43.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.7 ttp -106.57 150.98 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -138.77 -174.27 3.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.503 ' HG2' HG21 ' A' ' 109' ' ' THR . 27.1 mt-10 -100.19 140.02 35.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' HD2' HG21 ' A' ' 37' ' ' VAL . 58.3 m-85 -129.99 143.14 50.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -154.01 -178.64 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.485 HG21 ' CE3' ' A' ' 39' ' ' TRP . 97.5 t -151.6 150.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 12.7 ptm -150.39 173.07 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.581 HG13 ' HE2' ' A' ' 19' ' ' MET . 7.1 p -140.05 133.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.5 m -107.2 94.15 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 13.0 ttpt -121.58 154.93 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 8.5 m-80 64.32 46.98 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 8.3 ptp180 47.45 35.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.7 ptm85 -153.64 154.5 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.92 138.76 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 17.4 p -92.28 -174.4 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -87.41 161.49 17.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 79.5 m95 -83.8 136.31 34.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -66.65 -174.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.41 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -51.89 153.19 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.503 HG21 ' HG2' ' A' ' 92' ' ' GLU . 86.1 m -87.98 132.21 34.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.57 123.96 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -97.2 134.49 40.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.57 112.49 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -82.55 149.85 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 p -90.77 161.87 15.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -75.23 145.02 42.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.05 111.5 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.4 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.5 m -101.18 76.8 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -175.98 86.83 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.54 16.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.7 m -119.65 149.4 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.8 t -124.92 125.87 44.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -159.67 149.42 18.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -99.84 42.07 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.06 -39.8 7.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 70.48 41.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m 62.55 40.59 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.41 0.74 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 77.4 t80 -130.19 99.81 19.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 53.6 Cg_endo -69.83 170.11 17.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.7 m -72.63 135.14 45.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -123.9 107.58 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.07 142.98 79.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.65 162.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -49.13 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.7 p -90.53 167.58 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.7 p -150.08 150.61 30.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.698 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HE2' ' HB3' ' A' ' 99' ' ' LYS . 53.6 mmm -127.43 -177.37 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -153.04 112.94 2.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -178.69 2.44 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG21 ' ND2' ' A' ' 42' ' ' ASN . 27.4 m -143.68 -177.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.48 34.09 18.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.0 t -63.83 108.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.09 136.94 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -109.19 101.47 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.2 t -93.46 133.38 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.16 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.643 HD21 ' CB ' ' A' ' 36' ' ' ARG . 6.4 mt -80.8 -51.75 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.913 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -148.72 174.76 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -44.81 -44.75 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.72 ' H ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -115.01 41.09 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.913 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.7 132.79 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.11 113.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.643 ' CB ' HD21 ' A' ' 30' ' ' LEU . 9.4 tpp85 -85.9 107.88 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.662 HG21 ' CD2' ' A' ' 93' ' ' PHE . 43.5 t -94.84 109.3 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -118.87 137.53 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.509 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 34.6 p90 -133.83 -175.54 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.82 161.27 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.616 ' O ' HG12 ' A' ' 44' ' ' VAL . 10.9 p30 -119.35 101.29 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.473 ' ND2' HG21 ' A' ' 23' ' ' VAL . 25.3 m-20 -87.92 -16.96 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 p -90.89 35.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.692 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.1 p -124.95 93.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 44' ' ' VAL . 53.8 Cg_endo -69.75 166.96 25.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -82.17 159.33 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 62.7 38.59 11.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -85.01 82.53 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -91.58 -55.35 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -107.06 111.58 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 m -144.18 -177.75 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -101.43 125.04 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 p -38.34 158.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 138.35 10.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.3 tp -115.02 146.92 40.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.439 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -109.39 127.48 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -108.41 150.44 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.17 125.32 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -128.21 155.25 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 48.5 p90 -160.1 131.62 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.535 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -134.89 145.36 48.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -38.07 139.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.1 p -81.93 131.63 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 48.84 51.19 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -119.49 130.06 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.34 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -98.42 132.86 43.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.08 150.21 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -103.97 118.27 36.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.7 m-85 -69.67 108.86 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 7.5 ttmm -72.82 157.14 38.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -155.8 126.65 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -129.29 157.2 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.723 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.2 p-10 -110.05 131.0 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -150.35 144.66 25.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 p -97.33 4.85 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -101.95 173.24 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 80.4 mt -100.72 19.52 16.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -151.57 128.72 11.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -129.44 139.5 51.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.493 HG23 HD11 ' A' ' 30' ' ' LEU . 3.6 m -101.58 113.33 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -85.77 101.99 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -102.08 158.66 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.9 55.43 7.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.2 mt -114.93 -176.81 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -99.15 136.83 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.8 65.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.19 39.68 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m -142.95 128.24 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.413 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 13.7 tmm? -103.88 152.96 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -138.67 -179.38 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 5.4 tt0 -102.27 125.77 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.662 ' CD2' HG21 ' A' ' 37' ' ' VAL . 21.0 m-85 -116.71 141.92 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -151.58 166.36 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.452 HG21 ' CE3' ' A' ' 39' ' ' TRP . 42.1 t -137.61 154.57 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.59 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 20.9 ptm -151.95 -175.0 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CE ' ' A' ' 19' ' ' MET . 1.3 p -143.02 138.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 102' ' ' ARG . 93.0 m -119.6 94.09 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.538 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -126.41 152.18 46.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.447 ' HB2' ' CD ' ' A' ' 99' ' ' LYS . 33.0 t-20 74.29 31.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 63.03 28.08 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 98' ' ' THR . 6.5 ptm180 -146.82 154.12 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.467 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 94.9 p -106.01 133.64 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 1.3 t -89.78 175.19 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 104' ' ' SER . 15.0 t -75.87 169.24 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.59 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 84.1 m95 -88.25 158.24 18.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t -97.61 176.07 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.3 ptm -40.08 131.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 19.4 m -78.81 154.34 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.26 124.39 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.57 129.06 39.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . -146.96 114.91 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -86.69 146.91 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.8 p -88.24 154.01 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -71.62 151.49 43.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -68.43 111.67 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.2 162.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.5 t -108.16 149.73 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.6 -94.41 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -13.22 34.58 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -96.18 173.11 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.0 t -149.84 168.88 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 71.17 41.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -83.6 138.7 33.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.08 174.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -94.05 92.55 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 m -125.49 83.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.5 167.42 12.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -138.13 123.27 12.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' THR . 54.2 Cg_endo -69.7 -16.85 37.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.1 m -34.94 125.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -43.71 137.69 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.53 129.83 94.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.78 20.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.87 147.55 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mp -105.55 32.01 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.3 m -96.34 -34.82 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 p -41.65 154.56 0.24 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.627 0.727 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -165.13 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.451 ' HE3' HG13 ' A' ' 97' ' ' VAL . 63.2 mmm -42.66 154.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -118.78 123.94 28.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.77 166.44 27.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.825 HG21 ' OD1' ' A' ' 42' ' ' ASN . 28.7 m -144.09 -176.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.49 45.92 5.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.75 102.93 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.79 148.53 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -118.76 100.47 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 22.3 t -92.59 134.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.79 113.96 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.1 mt -85.19 -52.35 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.922 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.1 t -149.1 172.15 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -40.96 -48.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.642 ' H ' HG23 ' A' ' 31' ' ' THR . 21.5 p-10 -113.35 43.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.922 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -155.33 126.05 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -138.24 111.58 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 30' ' ' LEU . 12.7 tpp180 -81.99 112.19 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.01 107.03 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.2 p -109.88 141.6 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.537 ' CE2' HG11 ' A' ' 95' ' ' VAL . 46.1 p90 -142.12 177.41 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.88 167.95 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -123.06 123.62 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.825 ' OD1' HG21 ' A' ' 23' ' ' VAL . 4.6 m120 -117.08 -5.78 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -53.03 -22.52 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.69 113.76 54.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.68 26.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -174.68 178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -76.36 49.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -40.6 127.64 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -51.22 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -85.23 105.27 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 p -99.09 115.11 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.98 144.76 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' C ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 p -87.21 141.58 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' HG3' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -143.59 -176.77 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.5 tp -128.48 135.29 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.64 127.01 53.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 58' ' ' VAL . 25.6 m -102.13 156.74 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 57' ' ' THR . 16.1 t -141.59 123.52 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.0 ptt85 -129.97 159.35 36.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.501 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 32.5 p90 -159.71 141.66 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 2.2 ttt180 -139.08 143.54 38.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -42.8 126.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -79.82 129.51 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 70.15 34.42 2.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -106.0 129.45 54.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.29 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -135.36 121.62 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.52 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -104.55 152.53 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CE1' ' HD2' ' A' ' 61' ' ' ARG . 13.6 m-85 -99.92 130.69 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -96.58 154.99 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -145.83 140.8 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -147.14 136.08 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.454 ' C ' ' OD1' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -87.94 139.31 30.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -153.1 128.61 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.9 p -94.04 39.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.1 m -143.63 170.14 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -94.88 25.27 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -160.99 124.12 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -124.68 151.1 45.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.415 HG23 ' CD1' ' A' ' 30' ' ' LEU . 35.0 m -112.99 99.09 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.43 104.18 4.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.8 p -105.8 158.52 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.52 43.93 11.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.99 -179.92 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -95.07 134.09 25.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.477 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.71 153.99 68.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.559 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 0.7 OUTLIER 51.8 30.52 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 m -135.82 139.56 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.481 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.3 ttp -114.54 153.22 30.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -144.55 -178.34 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 109' ' ' THR . 0.4 OUTLIER -106.54 141.59 37.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 72.0 m-85 -128.75 137.55 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -140.45 145.27 36.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 39' ' ' TRP . 24.8 t -118.14 152.01 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -148.89 -175.09 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.451 HG13 ' HE3' ' A' ' 19' ' ' MET . 3.6 p -144.25 148.65 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 102' ' ' ARG . 51.8 m -126.94 98.95 5.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -126.44 157.83 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 64.01 40.25 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 55.8 28.19 11.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.6 ptm85 -145.16 153.91 41.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -98.67 148.16 24.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 105' ' ' THR . 13.9 t -96.4 -179.7 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.1 t -86.92 160.17 18.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -83.35 136.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 t -80.42 179.26 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.7 ptm -48.16 123.33 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 92' ' ' GLU . 29.6 m -72.12 144.65 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.51 160.76 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -122.43 150.27 42.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . -167.46 119.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.481 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.4 m -88.99 147.74 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.6 p -92.3 150.07 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -61.08 152.16 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -71.16 110.72 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . -46.31 -54.87 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 p -160.4 122.37 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.65 -157.49 20.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.33 57.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.8 p -108.95 134.67 51.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.0 p -115.94 145.92 42.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -107.5 -60.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.18 168.42 20.52 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -102.7 166.35 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -109.99 41.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.3 -113.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -140.53 155.51 69.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 154.61 67.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -138.96 165.88 25.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -72.2 131.56 42.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.25 147.81 42.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 111.184 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 53.7 Cg_endo -69.75 160.94 47.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.347 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' PRO . 45.7 m-20 -37.61 150.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.31 85.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -70.49 -42.96 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -140.91 151.41 62.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.526 0.679 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 4.81 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.515 ' CB ' ' HB2' ' A' ' 104' ' ' SER . 14.4 mtp -74.44 -174.43 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 106.68 5.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 161.02 47.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -154.1 -179.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.89 51.72 23.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.09 119.72 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -120.86 130.8 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -107.71 100.9 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' ARG . 43.3 t -94.28 140.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.72 114.11 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' CD1' HG23 ' A' ' 81' ' ' THR . 19.0 mt -82.13 -52.03 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.91 HG23 ' H ' ' A' ' 33' ' ' ASP . 2.5 t -147.92 176.43 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -49.13 -34.65 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.91 ' H ' HG23 ' A' ' 31' ' ' THR . 74.1 m-20 -123.05 41.17 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.893 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.54 139.0 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -147.89 115.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.9 tpp180 -88.97 109.92 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 93' ' ' PHE . 59.8 t -101.28 111.95 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.18 153.75 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.805 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.417 ' CD2' HG21 ' A' ' 95' ' ' VAL . 40.6 p90 -147.77 -175.15 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.21 137.01 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -88.35 107.66 18.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -89.93 -36.73 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 p -53.84 -24.31 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 77.3 t -108.29 103.02 49.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.81 -167.18 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -148.21 124.62 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -146.35 131.03 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -121.42 71.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.441 HG21 ' HE ' ' A' ' 54' ' ' ARG . 14.3 t -83.83 159.96 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.5 t -104.04 -52.57 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.56 119.94 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.658 HG22 ' H ' ' A' ' 54' ' ' ARG . 3.1 p -48.41 173.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.658 ' H ' HG22 ' A' ' 53' ' ' VAL . 4.6 mtt-85 -142.31 135.31 28.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 74' ' ' ASP . 4.2 tp -120.29 143.35 48.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.78 129.88 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -113.2 150.83 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' SER . 26.9 t -134.32 128.68 52.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.485 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 31.7 ptt85 -121.42 151.63 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.575 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 41.5 p90 -154.88 125.96 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.693 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -134.98 142.12 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.485 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 5.9 p -39.25 135.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.8 t -89.33 132.11 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 53.64 46.84 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -118.42 156.12 29.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -61.04 177.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -37.05 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -118.01 178.9 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 141.51 47.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.59 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 -89.34 124.66 34.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 11.4 tttp -101.9 145.22 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.485 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . 1.2 t -162.48 153.99 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 80' ' ' TYR . 5.2 pt-20 -151.67 171.74 17.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.705 ' HB2' HD11 ' A' ' 55' ' ' LEU . 5.4 p-10 -87.68 145.54 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 75' ' ' THR . 11.4 t -154.93 109.24 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.7 p -79.85 41.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -142.26 153.26 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.46 18.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.6 p -153.43 119.78 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 73' ' ' GLU . 54.7 t80 -110.15 151.57 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.3 m -123.95 101.32 7.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -75.91 100.68 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -104.23 146.97 28.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 44.15 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.679 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.2 mt -105.63 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -94.33 137.84 22.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.504 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.5 Cg_endo -69.82 161.1 47.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.286 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 87' ' ' PRO . 3.1 p-10 43.47 35.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 m -137.86 138.83 39.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.521 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.6 ttp -113.9 149.29 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -135.74 -179.65 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' CG ' HG21 ' A' ' 109' ' ' THR . 3.0 pt-20 -111.23 125.42 53.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.7 m-85 -112.1 154.36 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -153.4 170.33 20.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.417 HG21 ' CD2' ' A' ' 39' ' ' TRP . 26.5 t -139.36 154.74 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 25.1 ptm -154.04 -176.3 5.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.458 HG13 ' HE2' ' A' ' 19' ' ' MET . 7.5 p -146.84 142.37 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.5 m -120.85 94.93 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 12.0 ttpt -126.47 150.24 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.87 37.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 58.56 25.18 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -142.03 149.77 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -101.3 136.85 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.515 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 16.4 t -88.01 -178.15 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.5 t -88.9 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.601 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 56.2 m95 -79.85 138.64 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' MET . 64.6 p -77.85 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.827 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' SER . 7.9 ptm -35.94 121.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.487 HG21 ' CG ' ' A' ' 92' ' ' GLU . 9.8 m -73.8 128.5 35.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.97 163.0 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -123.39 157.15 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.433 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -172.93 117.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.521 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.2 m -90.0 148.24 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -93.13 149.34 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -61.5 136.29 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.72 123.36 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -54.53 -41.78 70.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 t -97.46 99.92 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 116.64 105.34 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.99 67.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.1 t -95.43 102.84 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.2 p -115.36 117.83 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -173.37 159.16 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -172.54 173.6 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.09 -84.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t 53.13 46.81 25.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -57.21 169.46 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.56 -140.82 2.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.433 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -85.59 143.48 38.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.95 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.303 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.7 m -145.4 119.54 9.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 p -43.78 149.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG12 ' HD2' ' A' ' 13' ' ' PRO . 1.2 t -107.87 135.49 19.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' HD2' HG12 ' A' ' 12' ' ' VAL . 53.3 Cg_endo -69.78 4.59 2.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' PRO . 7.8 p-10 -34.05 117.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -99.55 169.02 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -94.79 -36.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -48.18 145.84 4.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HG2' ' NE ' ' A' ' 102' ' ' ARG . 53.9 Cg_endo -69.81 4.2 2.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 12.7 mtp -116.71 179.31 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -140.57 111.58 6.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -177.79 2.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 m -150.52 -175.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.39 31.14 34.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.517 HG21 ' OG ' ' A' ' 107' ' ' SER . 2.9 t -66.63 116.04 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -117.48 125.42 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 100.87 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.55 134.84 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.18 114.81 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 81' ' ' THR . 12.7 mt -84.89 -51.73 6.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.915 HG22 ' CB ' ' A' ' 34' ' ' ALA . 2.2 t -148.65 176.15 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 17.5 p-80 -49.19 -38.1 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.834 ' H ' HG23 ' A' ' 31' ' ' THR . 2.5 p30 -119.25 41.95 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.915 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.74 148.17 26.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' ALA . 16.7 t -159.72 114.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HB2' HD21 ' A' ' 30' ' ' LEU . 13.9 tpp180 -87.2 103.74 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.51 110.65 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.0 p -120.92 138.15 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.528 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 44.7 p90 -131.93 -178.56 4.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.32 149.5 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -95.23 132.21 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -119.71 -22.18 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -88.54 30.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.606 ' O ' HG12 ' A' ' 44' ' ' VAL . 20.2 t -129.47 88.9 48.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.52 49.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.44 147.1 52.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.3 m120 45.1 52.6 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -44.62 109.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.95 -56.85 10.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.0 p -86.22 108.64 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.0 p -75.75 81.47 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -101.83 114.82 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' C ' ' HG3' ' A' ' 54' ' ' ARG . 9.3 p -77.48 151.13 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.606 ' N ' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.61 -175.01 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.5 tp -138.75 136.18 35.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -108.74 126.12 52.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.7 m -110.63 147.81 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -132.31 112.56 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' LYS . 5.1 ptp180 -112.3 152.34 28.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -151.51 130.92 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.6 tmm_? -136.36 140.12 43.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 p -39.16 140.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -93.67 123.4 36.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 72.14 39.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -120.89 137.25 54.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.04 -72.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -83.39 113.11 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.39 163.86 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.1 37.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 4.5 m-85 -89.74 118.58 29.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 6.7 tttp -100.56 148.99 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.8 p -161.43 161.23 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -143.58 151.97 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.66 124.06 37.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.7 t -138.31 147.75 43.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.6 p -101.4 21.04 14.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 p -119.06 178.33 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.528 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 96.5 mt -101.92 15.38 29.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.7 p -150.67 138.26 19.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -138.1 141.6 40.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.467 HG23 ' CD1' ' A' ' 30' ' ' LEU . 3.4 m -102.34 114.86 29.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -87.98 99.13 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.1 p -102.13 153.34 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 50.17 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -114.64 165.13 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -75.18 132.86 75.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.78 156.35 63.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.423 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.9 p-10 46.51 40.37 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.5 m -143.57 136.68 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.504 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 59.5 ttp -106.74 151.64 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -138.69 -177.86 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.765 ' HG3' HG23 ' A' ' 109' ' ' THR . 5.6 tt0 -101.77 128.64 48.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -120.19 142.03 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.7 p -154.38 179.83 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 96' ' ' MET . 38.4 t -146.69 156.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.584 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 7.6 ptm -149.01 -176.43 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.412 HG13 ' HE2' ' A' ' 19' ' ' MET . 2.6 p -147.99 146.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -121.34 99.2 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -123.37 150.95 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.34 36.57 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 60.24 26.19 15.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.2 ptt-85 -140.48 147.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -103.33 130.41 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 20.9 p -85.4 -175.6 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.822 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -80.9 162.68 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.584 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 73.8 m95 -83.33 148.04 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.517 ' OG ' HG21 ' A' ' 25' ' ' VAL . 79.8 p -75.03 -174.57 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.414 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -53.89 154.07 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.765 HG23 ' HG3' ' A' ' 92' ' ' GLU . 63.8 m -89.02 126.66 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.78 114.95 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -87.74 139.03 30.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.86 110.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -79.61 150.76 30.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.9 p -89.42 160.5 16.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -70.19 147.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.52 113.72 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.33 175.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.5 p -50.92 147.22 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.25 176.3 20.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.7 Cg_endo -69.76 3.49 2.74 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 120' ' ' PRO . 28.6 m -33.62 122.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.0 t -34.67 134.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -76.04 168.8 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.4 p 40.97 43.91 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.08 62.42 0.6 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -73.99 156.08 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -142.62 114.17 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.06 141.55 10.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.58 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 44.7 t80 -125.66 136.79 28.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 53.9 Cg_endo -69.76 132.15 22.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.737 2.291 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.9 p -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -126.0 122.0 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.08 120.46 29.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 106.58 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -148.08 114.48 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mp -139.16 152.05 47.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -76.62 -45.95 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.2 p -42.61 148.12 0.57 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.729 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.59 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.568 ' HE3' HG13 ' A' ' 97' ' ' VAL . 79.2 mmm -124.44 151.87 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.952 HD12 ' OG ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -131.73 116.4 15.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 163.35 38.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.81 177.87 5.17 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.51 -176.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 32.46 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.35 111.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -117.55 146.94 43.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.14 99.95 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.5 t -91.62 132.92 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.43 116.0 28.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 36' ' ' ARG . 10.3 mt -86.8 -53.49 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.917 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.1 t -148.42 172.67 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 26.6 p-80 -41.12 -48.84 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.644 ' H ' HG23 ' A' ' 31' ' ' THR . 1.1 p30 -113.37 42.14 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.917 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.35 127.19 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 37' ' ' VAL . 4.7 t -139.91 113.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.654 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.8 tpt180 -87.21 93.15 9.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.676 HG21 ' CD2' ' A' ' 93' ' ' PHE . 84.6 t -84.78 109.57 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.93 152.99 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 78' ' ' LEU . 35.6 p90 -144.23 -178.61 6.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.87 152.49 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.484 ' HB2' HD21 ' A' ' 78' ' ' LEU . 56.0 t0 -107.16 103.3 12.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -106.43 -19.82 13.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.952 ' OG ' HD12 ' A' ' 20' ' ' LEU . 5.8 m -87.23 53.8 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 8.3 p -131.73 122.22 18.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.34 14.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.83 -27.48 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 24.0 m-80 -144.38 122.93 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -98.03 86.48 3.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -113.84 41.6 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.5 153.99 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.2 p -55.56 -61.45 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -103.79 154.7 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -95.67 123.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.507 ' HA ' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -46.99 123.48 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.2 tp -91.21 130.34 37.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -98.51 128.62 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -108.19 142.69 38.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG12 ' CE3' ' A' ' 60' ' ' TRP . 16.8 t -115.92 121.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 2.4 ptp180 -127.39 149.85 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.489 ' CB ' ' O ' ' A' ' 92' ' ' GLU . 37.4 p90 -159.11 154.75 26.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.681 ' HD2' ' HB3' ' A' ' 68' ' ' ALA . 2.5 ttp180 -152.77 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 65' ' ' SER . 3.2 p -50.04 127.71 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m -70.53 138.49 51.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 49.77 40.18 19.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' OG1' ' A' ' 62' ' ' THR . 0.9 OUTLIER -101.59 -179.37 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.33 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m 41.64 35.82 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.681 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . . . -90.24 169.39 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.13 141.41 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' CB ' ' A' ' 61' ' ' ARG . 3.4 m-85 -91.26 134.23 34.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -88.72 174.48 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 p -161.23 134.58 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -138.8 154.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.09 121.57 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 t -140.35 132.38 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -93.57 29.8 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -132.11 172.86 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 41' ' ' ASP . 10.6 mt -96.67 24.0 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 p -156.95 131.45 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.89 150.27 49.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.45 HG23 ' CD1' ' A' ' 30' ' ' LEU . 26.2 m -112.15 99.53 8.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -73.7 103.69 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -103.56 152.52 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.94 48.61 6.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.3 mt -110.48 171.3 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.81 132.61 48.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.77 153.25 69.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 1.5 p-10 48.54 33.44 4.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 91' ' ' TYR . 77.2 m -139.93 128.04 22.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -98.67 145.42 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.545 ' HE2' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -131.5 -173.41 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 60' ' ' TRP . 11.8 mt-10 -100.23 143.49 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.676 ' CD2' HG21 ' A' ' 37' ' ' VAL . 89.4 m-85 -133.7 139.76 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t -152.52 178.8 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 96' ' ' MET . 28.3 t -151.89 154.92 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.522 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -154.02 -176.37 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.568 HG13 ' HE3' ' A' ' 19' ' ' MET . 4.7 p -137.72 145.86 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -129.85 97.03 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -126.92 154.76 44.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 4.9 m-20 66.77 41.52 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 50.03 42.18 24.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 4.2 ptp180 -158.14 139.18 13.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.418 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 92.2 p -89.39 147.91 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 12.9 p -105.69 -174.35 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -84.85 165.26 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 59' ' ' ARG . 78.1 m95 -91.88 172.03 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.1 t -112.36 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 ptm -38.86 142.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.7 m -84.14 151.1 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.04 36.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -91.69 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.81 105.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -72.61 146.13 46.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -86.77 153.93 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -64.04 140.28 58.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 117' ' ' ALA . 17.7 tt0 -62.93 107.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 116' ' ' GLU . . . -37.7 -46.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -109.76 86.04 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 112.8 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.9 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.3 t -38.41 132.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 p -61.35 179.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -105.75 99.3 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -92.01 -43.62 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.6 101.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -130.63 117.59 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -141.17 172.79 12.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.03 -118.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 33.3 t80 -128.33 109.23 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.724 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 53.5 Cg_endo -69.83 -172.78 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.21 . . . . 0.0 112.316 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -63.26 130.15 43.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -74.78 -76.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.84 143.24 30.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.51 16.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.268 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -114.19 157.14 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.1 154.54 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -94.66 79.01 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -131.6 147.19 65.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.1 2.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.439 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 69.8 mmm -93.97 162.8 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -139.45 107.16 7.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 169.57 18.49 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.558 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.84 173.62 10.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.87 -176.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.64 60.77 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' OG ' ' A' ' 107' ' ' SER . 55.4 t -82.79 111.45 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -112.02 140.52 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 112' ' ' ALA . . . -114.36 105.47 13.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.4 t -94.67 134.37 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.85 109.84 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.7 mt -79.9 -55.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.91 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -146.48 176.12 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -44.13 -46.85 8.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.674 ' H ' HG23 ' A' ' 31' ' ' THR . 7.6 p30 -114.86 42.08 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.91 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.65 130.63 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 5.1 t -141.73 113.92 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.549 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.5 tpp85 -86.66 103.85 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.22 111.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.0 p -120.9 133.12 55.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' HG21 ' A' ' 95' ' ' VAL . 35.0 p90 -129.46 178.3 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.0 166.74 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -122.49 134.07 54.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' VAL . 32.3 m-20 -129.84 -52.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.626 ' HB3' HD12 ' A' ' 20' ' ' LEU . 60.4 p -35.98 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' ASN . 14.0 p -70.24 129.87 90.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.88 36.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -47.82 -42.08 25.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -130.44 130.79 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -97.87 56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -19.26 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 p -90.13 151.15 21.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -106.89 82.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 126.04 54.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 t -80.48 140.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.88 149.24 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 74' ' ' ASP . 4.7 tp -125.82 139.89 53.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.67 132.33 54.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -112.09 153.98 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 95' ' ' VAL . 98.9 t -136.03 123.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CE2' ' A' ' 70' ' ' TYR . 3.7 ptm180 -122.24 167.35 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 44.5 p90 -167.72 140.65 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.796 HH11 ' HB3' ' A' ' 68' ' ' ALA . 6.8 ttp85 -137.95 145.41 41.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.467 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -47.43 133.77 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -89.82 130.48 36.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 67.34 33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 -174.91 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.87 161.39 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 m 52.57 41.34 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.796 ' HB3' HH11 ' A' ' 61' ' ' ARG . . . -106.38 147.15 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -95.1 140.1 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 6.3 m-85 -86.52 108.69 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -79.61 157.71 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -156.0 149.58 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -146.91 138.65 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.597 ' HB2' HD11 ' A' ' 55' ' ' LEU . 15.4 p-10 -91.79 117.28 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 t -133.58 145.6 50.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -97.44 8.86 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -108.41 167.67 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 mt -92.52 19.9 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -154.45 131.53 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 81' ' ' THR . 10.0 t80 -128.69 140.85 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 2.7 m -98.13 125.72 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.576 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -95.19 98.29 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 p -100.7 157.16 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.01 48.8 18.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.9 mt -109.25 -177.88 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.368 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttpt -99.19 136.95 20.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.428 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.76 158.32 57.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 44.06 26.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 m -130.52 125.28 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.665 ' HB2' HG23 ' A' ' 113' ' ' THR . 14.1 tmm? -102.99 153.12 20.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -140.67 -175.41 4.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HG3' HG21 ' A' ' 109' ' ' THR . 3.1 pt-20 -112.22 125.6 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 109' ' ' THR . 18.8 m-85 -112.47 156.98 21.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.6 p -154.18 169.19 24.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG21 ' CE3' ' A' ' 39' ' ' TRP . 47.3 t -139.9 144.42 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 106' ' ' TRP . 5.0 ppp? -141.55 -175.46 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.08 143.62 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 102' ' ' ARG . 93.6 m -124.21 98.42 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -126.05 144.27 50.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 14.8 t-20 73.55 49.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 7.9 ptm180 44.78 34.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 98' ' ' THR . 1.7 ptm85 -150.74 153.43 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 m -109.82 147.28 33.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.439 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 54.2 p -106.8 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.0 t -77.41 159.3 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.593 ' CZ3' ' HG3' ' A' ' 96' ' ' MET . 62.3 m95 -84.43 143.71 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.519 ' OG ' HG21 ' A' ' 25' ' ' VAL . 94.7 p -72.37 177.89 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.3 ptm -47.39 123.14 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 93' ' ' PHE . 29.2 m -74.44 135.75 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -107.66 170.02 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -128.18 153.07 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . . . -168.33 116.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 90' ' ' MET . 2.0 m -84.28 155.27 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.0 p -99.84 157.33 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.8 133.15 45.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -52.04 127.2 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -61.4 149.57 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.2 t 65.39 40.5 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.96 122.0 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 173.79 10.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.288 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.3 p -97.39 -45.85 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.2 t -111.16 95.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -81.52 172.79 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -101.66 -49.46 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.15 105.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -77.07 150.04 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.2 p -171.97 161.7 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.95 -166.73 27.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.68 97.93 26.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.44 2.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.298 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -101.08 142.38 32.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -86.56 90.42 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.22 133.53 22.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.91 32.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -144.96 106.69 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 16' ' ' SER . 0.3 OUTLIER -173.01 139.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' HD12 ' A' ' 15' ' ' LEU . 52.4 p 50.01 42.72 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -129.97 155.66 80.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.3 Cg_endo -69.8 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' PRO . 79.6 mmm -36.03 143.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -109.98 116.39 53.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.424 ' HD2' HD13 ' A' ' 20' ' ' LEU . 53.4 Cg_endo -69.75 169.74 18.18 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.733 2.289 . . . . 0.0 112.324 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.73 HG21 ' ND2' ' A' ' 42' ' ' ASN . 18.1 m -145.95 -178.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.99 27.54 3.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.28 108.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -114.56 137.16 52.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.64 99.13 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ARG . 31.5 t -85.44 135.63 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.41 111.11 23.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 36' ' ' ARG . 3.3 mt -80.25 -52.01 8.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.91 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.5 t -149.11 176.21 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 33.5 p-80 -46.13 -43.25 14.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.749 ' H ' HG23 ' A' ' 31' ' ' THR . 16.3 p-10 -116.49 41.13 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.91 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.67 131.95 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -143.65 115.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.6 ' HB2' HD21 ' A' ' 30' ' ' LEU . 6.0 tpp85 -88.94 105.24 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.11 106.56 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.1 p -116.87 126.54 53.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.646 ' CE2' HG11 ' A' ' 95' ' ' VAL . 35.1 p90 -125.93 171.59 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.99 151.03 29.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -101.84 120.06 39.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.73 ' ND2' HG21 ' A' ' 23' ' ' VAL . 20.2 m-20 -110.33 -44.9 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 70.1 p -34.29 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' ASN . 25.8 m -70.55 143.43 90.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 176.45 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -52.67 -44.87 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -124.57 133.29 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.24 110.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -99.5 -45.48 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.2 p -116.84 102.69 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -107.51 149.45 27.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' VAL . 1.3 mp0 -62.81 132.99 54.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLU . 84.6 t -34.91 133.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.22 173.19 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.858 HD13 ' C ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.98 140.15 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.683 ' N ' HD13 ' A' ' 55' ' ' LEU . 8.8 m-85 -116.42 122.4 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 58' ' ' VAL . 58.9 m -92.37 156.17 17.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 57' ' ' THR . 23.1 t -139.68 126.59 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HD3' ' CH2' ' A' ' 106' ' ' TRP . 30.4 ptt85 -132.13 158.8 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.6 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.3 p90 -163.36 134.94 4.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.772 ' HD3' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -141.31 146.43 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.15 140.46 2.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -83.45 113.47 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 71.86 54.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.59 -175.36 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.56 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 m 55.82 46.33 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB1' ' HD3' ' A' ' 61' ' ' ARG . . . -107.97 110.36 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.507 ' O ' ' CZ ' ' A' ' 61' ' ' ARG . 9.0 mmmm -66.65 116.22 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.622 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m-85 -64.85 138.07 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 8.1 tttp -98.45 151.81 20.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -150.55 134.39 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -134.34 146.32 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.81 119.67 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -133.67 125.9 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.6 p -83.3 25.15 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -131.2 169.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.514 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.8 mt -94.69 27.98 2.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.2 p -157.69 134.1 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.536 ' CE1' ' CH2' ' A' ' 60' ' ' TRP . 32.4 t80 -138.67 140.07 38.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.559 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.0 m -99.77 113.19 25.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.41 97.56 10.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -103.36 149.11 25.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.55 46.81 5.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.68 -175.81 2.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.2 ttpp -97.58 133.22 23.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.14 62.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.0 t30 55.55 32.94 20.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -139.51 126.47 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.42 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 11.4 tmm? -100.48 153.12 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.29 178.06 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.3 tt0 -101.16 125.27 47.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.0 150.75 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -153.97 158.47 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.646 HG11 ' CE2' ' A' ' 39' ' ' TRP . 61.0 t -139.62 146.72 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.509 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -143.74 -175.09 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.8 p -141.26 140.83 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 102' ' ' ARG . 99.2 m -122.62 94.86 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -124.75 152.21 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 71.72 36.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.3 31.44 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 98' ' ' THR . 6.3 ptm180 -147.79 154.46 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.6 p -103.76 141.64 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 p -99.29 -175.71 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -82.77 165.17 20.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.8 m95 -84.25 166.18 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.8 t -107.86 170.38 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 ptm -39.75 139.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.45 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 2.9 m -79.34 150.18 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.57 119.39 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -92.56 126.32 37.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.94 111.32 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -80.69 147.97 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -86.49 161.13 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -75.23 141.68 43.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.29 112.07 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.08 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 12.7 t -71.98 -51.05 23.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.24 116.11 8.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -177.23 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -93.68 167.23 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.4 p -170.34 165.06 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -82.52 147.64 28.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.829 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -138.15 179.38 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -167.16 15.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -168.25 144.68 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -117.68 -49.58 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.94 71.32 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -127.75 126.14 23.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 1.84 4.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -39.85 146.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -70.71 174.82 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.33 145.97 31.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 124.81 11.45 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.57 44.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.2 mt -109.2 113.87 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 t -87.65 43.01 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -104.11 150.77 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 4.43 2.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.543 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 71.7 mmm -130.06 -175.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -160.54 112.55 1.35 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.922 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HG3' HG23 ' A' ' 105' ' ' THR . 53.0 Cg_endo -69.78 171.18 14.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.81 178.59 4.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG21 ' OD1' ' A' ' 42' ' ' ASN . 32.7 m -143.08 -178.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.2 41.52 30.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 ' OG ' ' A' ' 107' ' ' SER . 16.6 t -66.0 115.85 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -116.9 134.95 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.22 101.86 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' ARG . 23.2 t -93.88 135.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.0 114.12 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 36' ' ' ARG . 21.6 mt -84.52 -52.31 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.966 HG22 ' HB3' ' A' ' 34' ' ' ALA . 2.5 t -147.43 176.1 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -50.35 -37.42 36.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.824 ' H ' HG23 ' A' ' 31' ' ' THR . 62.2 m-20 -119.37 41.96 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -156.47 143.77 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 t -152.44 117.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.4 tpp85 -90.79 107.8 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 93' ' ' PHE . 58.3 t -94.54 105.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -114.12 126.11 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 39.0 p90 -120.72 -175.65 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.29 167.46 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -121.27 124.88 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.442 ' OD1' HG21 ' A' ' 23' ' ' VAL . 2.7 m120 -107.27 -41.96 4.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -46.94 -21.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.04 112.55 61.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -90.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.604 2.203 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASN . 17.7 ptmt -162.47 156.01 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.5 m120 37.98 48.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -126.46 85.74 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -77.16 80.65 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.3 p -65.66 120.02 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 t -55.88 -45.71 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -66.56 151.65 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -123.99 158.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.15 176.84 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.6 tp -129.21 145.47 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.424 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 m-85 -111.27 125.73 54.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.7 m -103.73 148.83 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.27 125.6 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 2.9 ptp180 -127.07 146.44 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 34.8 p90 -151.81 126.06 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.9 tmt_? -130.58 140.61 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.51 131.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.2 t -82.8 125.45 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 60.79 52.26 4.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -130.45 165.15 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.35 149.81 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t 61.83 48.88 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.05 166.88 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -122.27 142.05 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 8.0 m-85 -82.48 129.82 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -91.99 158.76 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -153.79 139.55 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -144.13 148.18 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.606 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -100.81 122.5 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 t -134.61 133.71 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.5 p -91.31 25.44 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.1 m -134.31 173.76 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.542 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 17.2 mt -94.37 24.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -152.52 141.31 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 137.06 28.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.519 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.7 m -99.27 108.31 20.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -80.82 98.91 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.1 p -100.59 147.87 25.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.08 48.46 4.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.1 mt -110.28 178.37 4.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -97.59 136.78 21.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.411 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.74 158.8 55.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 1.1 p-10 46.55 35.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -143.19 127.56 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.474 ' HB2' HG23 ' A' ' 113' ' ' THR . 14.3 tmm? -104.29 152.97 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 -175.43 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.554 ' HB2' HG21 ' A' ' 109' ' ' THR . 0.7 OUTLIER -113.0 126.13 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.619 ' CD2' HG21 ' A' ' 37' ' ' VAL . 5.9 m-85 -113.22 150.22 32.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.68 170.8 18.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 17.2 t -142.68 153.03 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 9.9 ptm -149.32 -175.05 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.83 146.59 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -128.69 101.81 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 27.1 ttmt -121.32 155.85 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.3 m120 59.05 30.5 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.426 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 6.8 mmp_? 63.99 25.45 13.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 7.3 ptp180 -138.26 148.49 44.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -97.52 149.07 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 78.4 p -96.71 -82.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.563 HG23 ' HG3' ' A' ' 21' ' ' PRO . 12.3 t -176.19 170.81 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 76.1 m95 -93.11 140.53 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.441 ' OG ' HG21 ' A' ' 25' ' ' VAL . 88.8 p -79.4 -178.19 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.8 ptm -48.33 122.34 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.554 HG21 ' HB2' ' A' ' 92' ' ' GLU . 53.6 m -74.69 141.73 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.23 170.55 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -135.18 135.18 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.99 121.76 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.0 OUTLIER -87.4 150.01 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.6 p -92.8 146.79 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -57.43 139.32 53.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.08 106.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -38.01 155.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.2 t -115.78 102.33 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -159.08 -75.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.6 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t 46.11 33.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.8 t -92.54 -47.09 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -160.63 146.6 14.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -124.57 -51.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.62 157.56 30.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -117.65 164.69 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -69.93 159.5 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.42 107.78 1.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.432 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.556 ' CD2' ' O ' ' A' ' 8' ' ' PHE . 29.6 p90 -124.56 97.77 38.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 54.1 Cg_endo -69.76 132.25 22.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.36 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.8 p -53.4 153.76 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER 63.02 51.95 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' SER . 2.4 p -36.28 119.93 0.72 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.39 30.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.1 m-20 -104.54 87.61 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 14' ' ' ASP . 5.0 mp -141.13 123.89 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.1 m -77.31 127.51 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -135.04 146.08 57.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.68 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' MET . 54.2 Cg_endo -69.7 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' PRO . 17.0 mtp -34.7 149.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -102.27 107.91 55.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.77 170.75 15.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.91 175.63 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.65 30.32 27.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.31 106.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -110.25 141.4 43.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.35 99.11 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ARG . 38.2 t -91.89 137.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 113.39 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.721 HD11 HG23 ' A' ' 81' ' ' THR . 7.8 mt -78.16 -52.55 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.875 HG22 ' CB ' ' A' ' 34' ' ' ALA . 2.8 t -146.68 176.58 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -49.49 -37.61 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.827 ' H ' HG23 ' A' ' 31' ' ' THR . 6.1 p-10 -118.37 42.16 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.875 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -156.14 145.72 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 5.5 t -154.45 114.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HB2' HD21 ' A' ' 30' ' ' LEU . 11.1 tpp180 -91.69 100.61 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' CD2' ' A' ' 93' ' ' PHE . 99.8 t -87.52 112.34 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -119.37 132.83 55.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.683 ' CD2' HG21 ' A' ' 95' ' ' VAL . 36.7 p90 -130.39 -177.56 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.92 141.97 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -104.84 108.89 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -99.79 29.15 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -110.34 21.0 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.493 HG23 ' HD2' ' A' ' 45' ' ' PRO . 5.7 p -143.98 134.52 12.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 44' ' ' VAL . 53.2 Cg_endo -69.8 156.49 63.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -48.34 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -98.72 118.95 36.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -171.73 142.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -49.34 176.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.36 130.55 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -74.77 174.41 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 99' ' ' LYS . 5.2 tp10 -69.9 153.51 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.33 141.86 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.13 -179.56 8.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.3 tp -147.9 134.25 19.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.86 125.98 51.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -104.36 146.84 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.94 121.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -122.03 151.61 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.633 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 42.0 p90 -160.62 145.91 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.584 ' HG2' ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -163.36 154.65 16.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 15.9 p -40.41 120.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.439 ' OG ' ' CE2' ' A' ' 64' ' ' PHE . 48.0 t -80.68 114.14 19.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' OG ' ' A' ' 63' ' ' SER . 22.5 m-85 69.37 54.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -128.94 168.91 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -60.09 178.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ALA . 38.6 t -37.86 100.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.94 156.43 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -100.84 127.25 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.584 ' CE2' ' HG2' ' A' ' 61' ' ' ARG . 10.5 m-85 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 11.6 ttmm -81.28 158.59 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.8 p -149.56 132.97 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -141.91 135.83 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.475 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -88.08 141.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -155.22 133.66 11.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.3 p -96.57 35.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.9 m -140.62 165.76 26.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.0 mt -92.33 27.65 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 p -160.33 128.82 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -131.38 140.7 49.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.721 HG23 HD11 ' A' ' 30' ' ' LEU . 17.6 m -107.88 107.33 18.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.551 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -81.95 98.86 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.9 p -97.64 154.83 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.9 52.91 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD11 ' O ' ' A' ' 82' ' ' ALA . 2.9 mt -113.17 175.77 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -86.91 134.97 35.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.459 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.4 Cg_endo -69.81 149.59 66.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.541 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.3 p-10 50.78 35.03 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -136.47 126.29 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.453 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 12.6 tmm? -100.22 148.54 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.2 -173.1 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 35.4 mt-10 -100.35 140.98 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.703 ' CD2' HG21 ' A' ' 37' ' ' VAL . 77.9 m-85 -132.5 138.53 47.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -153.43 172.22 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.683 HG21 ' CD2' ' A' ' 39' ' ' TRP . 59.9 t -145.0 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.592 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 13.6 ptm -148.48 -178.5 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.5 p -147.31 136.59 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 102' ' ' ARG . 96.7 m -114.93 97.86 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 6.6 ttmm -126.09 154.92 42.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.33 42.29 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 10.1 tpp180 52.37 44.46 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.421 ' C ' HG23 ' A' ' 98' ' ' THR . 0.3 OUTLIER -162.41 148.26 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 p -101.85 139.85 36.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 19' ' ' MET . 7.0 p -86.84 -174.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -90.22 165.68 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 68.8 m95 -87.41 133.76 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -78.33 172.94 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.805 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 ptm -41.43 138.16 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.7 m -80.94 136.83 36.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.66 117.46 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.453 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 3.4 m-70 -89.15 131.7 35.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.04 114.4 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -84.83 142.59 29.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.4 p -82.31 165.18 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -76.23 147.87 38.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.48 108.45 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -36.89 150.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -79.55 -50.53 10.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.59 38.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.9 19.7 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.2 m -106.01 135.89 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.8 p -68.95 -26.1 64.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -139.63 163.01 33.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -169.23 148.05 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.75 163.51 11.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -144.98 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -100.23 -54.96 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . 63.68 165.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 40.4 m-85 -166.79 110.7 0.67 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 53.6 Cg_endo -69.79 165.58 30.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.3 m -97.67 127.01 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -126.76 -179.25 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 12' ' ' VAL . 50.2 t 62.53 54.94 2.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.81 134.59 28.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.13 134.73 53.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -138.36 123.21 18.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' THR . 42.1 m -112.43 41.35 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 16' ' ' SER . 24.1 p -157.31 152.27 21.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.722 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.479 ' HE1' ' HB3' ' A' ' 99' ' ' LYS . 91.9 mmm -96.09 152.05 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.94 118.68 16.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.5 41.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.615 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.2 Cg_endo -69.78 172.97 11.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.751 2.301 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.0 -178.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.99 34.8 16.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG21 ' OG ' ' A' ' 107' ' ' SER . 5.2 t -64.94 124.9 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.54 132.39 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.02 99.39 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' ARG . 57.6 t -91.4 139.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.51 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD11 ' NH1' ' A' ' 36' ' ' ARG . 12.8 mt -77.78 -53.24 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.973 HG22 ' HB3' ' A' ' 34' ' ' ALA . 5.9 t -147.92 176.29 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -53.3 -28.44 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.901 ' H ' HG23 ' A' ' 31' ' ' THR . 78.7 m-20 -125.22 41.58 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.973 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -160.1 146.37 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -153.51 119.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.654 ' NH1' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -92.4 105.48 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 93' ' ' PHE . 58.9 t -93.31 105.55 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 p -112.24 131.4 55.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 95' ' ' VAL . 48.9 p90 -130.76 -179.89 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.46 162.33 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.41 97.51 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -111.31 33.15 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.8 t -114.27 25.56 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.3 129.58 6.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -77.48 -41.46 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -132.31 124.45 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -145.97 144.03 29.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -82.52 -58.79 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p -72.93 134.0 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -122.62 91.36 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.16 126.7 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.54 149.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -139.82 134.04 31.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 74' ' ' ASP . 10.6 tp -113.26 141.6 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -114.51 131.55 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.9 m -111.84 146.56 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -124.37 128.64 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.592 ' HD2' ' CZ2' ' A' ' 106' ' ' TRP . 6.6 ptm180 -128.26 140.03 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 40.2 p90 -147.82 130.1 15.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 2.5 tmm_? -136.63 142.71 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 19.2 p -39.55 145.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.7 p -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 61.1 42.85 11.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -94.52 163.1 13.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.38 -54.86 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.5 p -144.96 109.68 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.572 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -154.29 155.18 34.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.08 159.34 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 11.3 m-85 -93.78 136.4 34.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 23.3 tttt -91.5 161.11 15.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.447 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 69.3 p -155.2 134.24 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 72' ' ' SER . 6.2 mp0 -139.97 133.62 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.536 ' HB2' HD11 ' A' ' 55' ' ' LEU . 6.2 p-10 -89.03 121.31 31.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 t -145.56 144.93 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.6 p -90.69 -31.08 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.0 m -65.16 155.18 35.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.29 31.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 p -161.03 129.55 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -127.72 144.45 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 30' ' ' LEU . 8.3 m -108.75 113.9 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.557 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -86.4 96.13 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.8 p -95.78 150.85 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.0 49.59 5.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD21 ' HB1' ' A' ' 82' ' ' ALA . 6.4 mt -110.1 172.74 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 89' ' ' THR . 18.9 ttpt -88.85 136.01 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.72 154.44 67.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 1.1 p-10 48.78 31.97 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.402 HG21 ' HE2' ' A' ' 86' ' ' LYS . 5.1 m -135.48 127.68 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.423 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 66.7 ttp -102.13 153.38 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.5 176.27 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.713 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.3 tt0 -100.81 125.11 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.406 ' CD2' HG21 ' A' ' 37' ' ' VAL . 41.6 m-85 -111.38 147.3 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -154.33 151.04 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.615 HG12 ' HG3' ' A' ' 22' ' ' PRO . 39.3 t -125.82 144.51 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.581 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 22.3 ptm -142.42 -177.9 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -136.93 141.39 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -129.14 95.58 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.479 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 0.1 OUTLIER -126.07 153.22 44.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 8.9 m-20 68.61 38.39 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 54.3 38.93 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -154.06 141.9 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 3.6 p -101.11 144.22 30.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.7 t -76.51 163.05 27.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 78.6 m95 -89.26 143.42 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.412 ' OG ' HG21 ' A' ' 25' ' ' VAL . 79.9 p -70.55 -174.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -55.69 155.88 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.713 HG23 ' HG3' ' A' ' 92' ' ' GLU . 18.8 m -85.87 135.16 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.66 113.78 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -88.09 138.81 31.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.44 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -76.01 152.27 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 p -90.42 169.42 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.71 107.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -40.49 155.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.3 t -170.28 170.72 7.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.72 120.9 4.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -2.45 10.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.25 155.71 36.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.7 t -141.76 151.94 43.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -84.83 -49.6 8.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t 67.4 42.29 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.22 155.29 30.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -113.68 -59.67 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -163.92 173.23 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.26 108.04 1.97 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -129.27 127.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 148.48 64.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 67.33 45.65 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -68.04 161.04 27.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -44.53 143.78 1.97 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.53 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.07 42.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.627 HD13 HD21 ' A' ' 20' ' ' LEU . 73.6 mt 38.94 39.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 t -65.69 -42.48 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.5 p -41.38 149.09 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 5.27 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 48.5 mmm -112.11 178.09 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.627 HD21 HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -158.32 115.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.921 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.58 ' HG3' HG23 ' A' ' 105' ' ' THR . 53.8 Cg_endo -69.77 171.16 14.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.71 179.83 3.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.91 -177.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.32 50.83 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.23 120.94 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -123.47 125.17 44.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.96 100.62 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 40.5 t -88.41 135.15 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.49 110.18 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 36' ' ' ARG . 15.7 mt -81.01 -53.52 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.942 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.9 t -148.27 176.2 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -47.69 -43.84 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.721 ' H ' HG23 ' A' ' 31' ' ' THR . 62.9 m-20 -114.28 41.62 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.942 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.47 141.07 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.456 HG12 HG23 ' A' ' 37' ' ' VAL . 6.9 t -153.54 119.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.8 tpt180 -94.27 94.69 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.82 HG21 ' CD2' ' A' ' 93' ' ' PHE . 92.9 t -85.75 105.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -113.12 154.58 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.688 ' CE3' HG21 ' A' ' 95' ' ' VAL . 49.6 p90 -148.95 -175.11 4.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.5 156.58 41.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -113.46 126.68 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' VAL . 2.7 m120 -114.07 -48.39 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' ASN . 42.3 t -35.96 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ASN . 7.1 p -53.13 120.0 18.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.65 40.63 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 47' ' ' ASN . 15.8 pttp -62.32 -45.86 91.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 4.7 p-10 -97.22 44.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.43 ' OE1' ' C ' ' A' ' 48' ' ' GLN . 1.7 tm0? -39.67 122.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -105.04 -57.45 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 p -94.93 129.55 41.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.418 ' HA ' ' NE2' ' A' ' 48' ' ' GLN . 6.9 t -78.82 80.17 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.78 135.12 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.581 HG22 ' H ' ' A' ' 54' ' ' ARG . 8.4 p -89.29 168.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.581 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -175.16 171.93 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 74' ' ' ASP . 1.6 tp -136.27 147.52 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.458 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.2 m-85 -112.41 125.43 54.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.3 m -106.37 148.73 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.7 117.26 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 1.0 OUTLIER -114.94 144.35 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.443 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p90 -153.37 156.74 38.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.597 ' HG2' ' CE1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -172.27 152.02 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.503 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 3.3 p -34.6 135.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -95.47 122.06 37.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 71.13 46.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -136.69 145.96 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.6 157.78 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t 60.17 52.61 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.85 156.91 43.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.39 150.01 27.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 5.6 m-85 -95.34 110.99 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 44.5 tttt -75.99 165.24 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.921 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -159.53 138.67 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -137.8 148.74 45.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.749 ' HB3' HD11 ' A' ' 55' ' ' LEU . 78.3 m-20 -106.39 126.72 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.98 145.96 44.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -97.3 13.95 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 m -120.28 166.87 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -90.34 30.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -164.81 129.92 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -123.02 143.91 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -108.5 104.69 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.795 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -77.61 98.63 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.1 p -98.81 141.78 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.07 49.05 4.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.795 HD21 ' HB1' ' A' ' 82' ' ' ALA . 3.7 mt -106.95 179.11 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -93.59 136.0 24.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.569 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.7 Cg_endo -69.77 153.6 68.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 2.7 p-10 47.31 34.86 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 m -138.81 124.72 19.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 91' ' ' TYR . 41.2 ttp -100.05 153.0 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.44 ' N ' ' HG2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.13 -178.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 1.9 tt0 -103.29 125.43 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.82 ' CD2' HG21 ' A' ' 37' ' ' VAL . 59.5 m-85 -115.39 141.14 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.94 158.28 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.688 HG21 ' CE3' ' A' ' 39' ' ' TRP . 23.5 t -128.53 155.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.492 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 11.7 ptm -149.13 -177.33 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.409 HG13 ' CE ' ' A' ' 19' ' ' MET . 10.6 p -136.12 145.68 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 102' ' ' ARG . 77.4 m -130.26 115.15 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 12.9 ttpt -126.38 164.84 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 43.97 32.97 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.4 ttt180 62.84 42.7 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 98' ' ' THR . 4.9 ptm180 -147.64 152.81 38.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 p -103.13 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.531 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 80.5 p -93.2 -82.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 21' ' ' PRO . 7.1 t -176.72 170.91 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.492 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 60.9 m95 -94.02 147.13 23.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.2 p -91.01 -175.87 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 20.9 ptm -44.66 135.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.424 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 6.9 m -79.9 141.96 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.98 123.21 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -94.04 132.81 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -156.79 112.52 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.1 m -84.07 146.17 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -87.45 151.08 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -64.89 131.5 46.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.82 126.72 16.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -60.19 144.74 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 t -94.0 108.53 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -115.37 -94.72 1.96 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -27.91 26.02 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.4 t -92.48 146.03 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -162.26 120.82 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -101.64 167.83 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -72.22 -59.49 2.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.01 138.37 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 p -137.17 159.53 41.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -85.91 40.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.92 -168.42 8.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -114.61 78.59 5.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.699 0.762 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' THR . 54.1 Cg_endo -69.8 174.38 9.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PRO . 71.4 p 35.24 53.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -125.42 31.23 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 16.4 t -130.46 137.04 29.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.79 169.03 19.91 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.35 55.05 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.53 -56.45 15.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -118.1 -45.98 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.3 p -139.87 151.94 66.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.611 ' HE3' HG13 ' A' ' 97' ' ' VAL . 84.3 mmm -148.24 170.4 17.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -137.98 105.19 8.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.16 15.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 177.49 5.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG23 ' H ' ' A' ' 24' ' ' GLY . 2.0 m -134.99 -54.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' H ' HG23 ' A' ' 23' ' ' VAL . . . -75.05 45.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 58.6 t -63.4 92.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -103.31 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.92 101.35 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . 61.9 t -91.54 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.21 111.21 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.571 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.9 mt -76.03 -55.8 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 1.04 HG22 ' HB3' ' A' ' 34' ' ' ALA . 5.2 t -147.37 177.05 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -44.5 -45.08 9.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.609 ' H ' HG23 ' A' ' 31' ' ' THR . 19.7 m-20 -115.3 44.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.04 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -157.03 132.81 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.88 114.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HB2' HD21 ' A' ' 30' ' ' LEU . 14.7 tpp85 -88.92 102.39 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 93' ' ' PHE . 48.4 t -88.99 113.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.4 p -120.73 132.03 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.686 ' CE2' HG11 ' A' ' 95' ' ' VAL . 39.3 p90 -126.9 173.03 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.79 136.3 54.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -87.64 130.83 34.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.1 t-20 -102.35 -43.45 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' ASN . 7.8 t -33.76 -37.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.2 p -86.24 122.62 72.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.77 172.85 11.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -33.68 -56.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -137.99 121.23 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -174.22 141.24 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -117.45 118.18 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p -112.3 129.9 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -98.2 41.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -115.0 116.54 28.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.08 153.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -160.98 165.27 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.9 tp -148.3 144.64 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.407 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 12.7 m-85 -117.32 133.69 55.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.4 m -109.22 145.15 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.4 t -126.6 123.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 37.6 ptt85 -126.64 144.56 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.579 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 38.8 p90 -150.9 131.23 13.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.88 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -133.42 144.26 49.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 p -44.09 130.33 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -87.26 132.85 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 61.15 36.72 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -115.38 159.57 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -63.8 175.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' ALA . 45.4 m -38.21 97.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.88 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -123.56 144.19 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 161.85 30.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 7.2 m-85 -108.19 140.04 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 11.7 tttp -96.42 157.31 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -157.29 139.87 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.86 170.4 15.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.662 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -120.49 125.43 47.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 138.57 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 p -93.61 30.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.5 m -140.4 161.88 36.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.68 34.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.8 p -163.49 137.44 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -137.22 143.07 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' CD1' ' A' ' 30' ' ' LEU . 7.4 m -104.29 114.99 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' ALA . . . -92.46 92.79 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -95.52 150.23 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.48 50.87 5.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mt -111.54 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.577 ' HD2' HG21 ' A' ' 89' ' ' THR . 1.9 ttmp? -82.04 131.49 56.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.453 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.7 154.41 67.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 20.1 p30 48.76 31.11 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.577 HG21 ' HD2' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -133.13 138.14 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.441 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 55.8 ttp -111.77 151.61 28.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -141.93 176.13 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.659 ' HB2' HG21 ' A' ' 109' ' ' THR . 3.6 pt-20 -101.76 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.9 m-85 -114.39 134.35 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -127.46 177.78 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.686 HG11 ' CE2' ' A' ' 39' ' ' TRP . 92.7 t -151.26 145.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -148.72 -179.97 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.611 HG13 ' HE3' ' A' ' 19' ' ' MET . 7.1 p -141.22 145.98 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.7 m -125.4 102.22 7.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 18.8 ttpt -125.34 152.03 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.455 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 15.2 m120 61.85 55.02 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER 39.86 38.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -155.56 141.0 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -96.28 153.96 17.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p -106.21 -174.91 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.0 t -82.86 158.94 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.401 ' CH2' ' HD3' ' A' ' 59' ' ' ARG . 74.8 m95 -80.7 155.21 26.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.9 t -99.37 174.69 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ptm -45.94 127.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.659 HG21 ' HB2' ' A' ' 92' ' ' GLU . 20.6 m -75.78 146.45 39.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -111.44 159.72 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -119.48 150.08 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.435 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -167.33 121.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 m -94.42 136.33 34.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -79.81 158.21 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -67.96 153.93 42.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.0 112.2 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.76 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.7 t -41.72 -59.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 155.88 126.7 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 162.04 43.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.7 t -78.19 -51.8 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 p -81.6 -71.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.6 mmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -141.11 105.37 6.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.8 169.79 18.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.311 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.06 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -144.94 -178.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.58 39.19 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.26 114.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -113.58 146.3 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.29 101.48 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.2 t -94.5 136.28 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.57 114.74 27.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 36' ' ' ARG . 5.5 mt -81.99 -53.47 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.917 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.7 t -144.99 176.31 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -46.64 -41.72 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.774 ' H ' HG23 ' A' ' 31' ' ' THR . 87.8 m-20 -117.77 40.71 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.917 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.55 131.28 12.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -143.56 113.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.539 ' HB2' HD21 ' A' ' 30' ' ' LEU . 8.4 tpp85 -86.76 107.64 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.734 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.6 t -94.61 105.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 p -111.73 142.01 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CE3' HG21 ' A' ' 95' ' ' VAL . 47.7 p90 -142.32 -178.7 5.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.62 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.4 tp -133.77 134.09 42.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -100.8 125.29 47.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 m -107.65 149.31 28.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.0 t -128.82 127.03 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 7.3 ptp180 -126.13 147.84 49.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.487 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 46.5 p90 -157.82 145.2 18.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -149.55 154.98 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.57 119.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.836 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CZ ' ' HG2' ' A' ' 61' ' ' ARG . 6.3 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.954 0.406 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 10.2 tttp -88.43 167.58 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.5 p -156.79 127.89 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -132.32 152.17 51.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.648 ' HB2' HD11 ' A' ' 55' ' ' LEU . 6.9 p-10 -105.8 127.23 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 75' ' ' THR . 13.3 t -146.33 127.37 14.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.4 p -85.63 24.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.4 m -126.74 170.77 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 38.7 mt -95.9 23.92 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 p -156.88 129.9 7.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -128.44 144.67 51.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.435 HG23 HD11 ' A' ' 30' ' ' LEU . 3.8 m -105.16 111.14 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -81.91 101.58 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.3 p -103.7 155.41 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.87 50.99 8.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.605 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -110.23 -175.49 2.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -100.52 134.67 20.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 54.3 Cg_endo -69.75 148.86 66.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.09 27.37 11.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 m -132.31 137.07 47.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.0 ttp -109.28 152.2 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.11 173.32 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.4 tt0 -101.93 125.39 48.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.734 ' CD2' HG21 ' A' ' 37' ' ' VAL . 12.8 m-85 -111.61 147.93 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.15 149.27 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.587 HG21 ' CE3' ' A' ' 39' ' ' TRP . 47.4 t -121.25 152.06 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 18.1 ptm -149.24 -175.05 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 9.0 p -146.01 150.13 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 102' ' ' ARG . 47.4 m -128.22 94.71 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 36.9 ttmt -120.93 152.39 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.8 t30 71.3 32.29 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 62.25 25.65 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 98' ' ' THR . 10.3 ptm180 -144.33 156.86 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -105.85 145.12 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.5 p -101.87 -175.62 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.5 t -81.33 159.68 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.1 m95 -80.38 154.74 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.5 t -90.52 177.21 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.6 ptm -44.26 141.35 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 3.2 m -82.68 153.57 25.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.98 127.84 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -93.94 144.14 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -168.64 109.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.4 m -83.88 152.44 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -90.91 156.8 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -73.36 148.05 43.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.63 121.96 14.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.508 ' HE3' HG13 ' A' ' 97' ' ' VAL . 72.1 mmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.857 0.36 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -101.07 118.81 59.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.733 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' HD22 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.77 165.91 29.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.746 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.1 Cg_endo -69.73 177.98 5.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.1 -175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 30.92 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.726 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 77.7 t -59.3 105.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.105 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -112.44 159.1 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -128.84 99.76 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' ARG . 10.7 t -87.59 134.21 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.1 112.03 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.562 ' CD1' HG23 ' A' ' 81' ' ' THR . 12.5 mt -82.64 -56.46 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.867 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -148.94 176.53 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -42.57 -53.94 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.514 ' H ' HG23 ' A' ' 31' ' ' THR . 66.6 m-20 -108.17 43.86 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.867 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -155.79 133.19 10.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -146.73 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.6 tpp180 -89.14 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.9 t -93.97 112.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.7 p -122.11 134.84 54.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.79 ' CE2' HG11 ' A' ' 95' ' ' VAL . 27.0 p90 -127.29 179.25 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.12 161.92 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.1 tp -101.93 149.07 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.471 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.0 m-85 -114.74 137.29 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -116.53 151.64 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.12 117.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.639 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 6.3 ptm180 -111.9 148.64 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.456 ' CZ2' ' CD ' ' A' ' 71' ' ' LYS . 48.4 p90 -153.89 126.84 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.592 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 7.0 tmm_? -133.86 139.6 46.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.429 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 3.1 p -43.16 132.71 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 10.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.914 0.388 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' CD ' ' CZ2' ' A' ' 60' ' ' TRP . 13.4 ttmt -107.49 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -160.87 152.52 19.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -151.41 147.16 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.1 p-10 -101.45 124.4 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -137.56 135.6 36.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -89.0 36.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -146.44 164.86 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 60.9 mt -87.51 32.18 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 p -162.64 144.04 10.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -144.05 144.31 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.562 HG23 ' CD1' ' A' ' 30' ' ' LEU . 4.2 m -104.47 113.03 26.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.665 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -86.52 97.72 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -97.44 158.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.37 54.29 11.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.1 mt -112.92 -174.89 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -97.68 132.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.79 155.89 64.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.6 p30 47.62 36.49 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m -140.59 141.25 35.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.533 ' HB2' HG23 ' A' ' 113' ' ' THR . 48.7 ttp -115.48 149.76 37.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -137.06 179.86 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.875 ' HB2' HG21 ' A' ' 109' ' ' THR . 2.6 pt-20 -107.08 125.56 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 109' ' ' THR . 10.0 m-85 -112.87 159.19 19.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -153.36 175.73 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 39' ' ' TRP . 64.1 t -147.27 137.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 23.5 ptm -140.09 -174.99 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.508 HG13 ' HE3' ' A' ' 19' ' ' MET . 13.2 p -148.43 144.14 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -119.74 96.11 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -125.14 148.43 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 21.4 t30 70.76 47.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 4.4 ptm180 48.46 31.17 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -148.11 149.56 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -95.97 151.16 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 105' ' ' THR . 28.3 t -100.64 -179.51 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.401 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.3 t -89.85 163.02 15.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.61 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 54.4 m95 -85.91 134.25 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' MET . 17.4 t -82.2 170.36 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . 5.6 ptm -35.79 129.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.875 HG21 ' HB2' ' A' ' 92' ' ' GLU . 6.4 m -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -102.19 148.7 25.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -106.4 153.78 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -174.6 112.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.2 m -84.75 151.32 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -94.41 154.34 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.49 144.59 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -58.02 134.5 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.584 ' HE3' HG13 ' A' ' 97' ' ' VAL . 76.4 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.44 105.07 49.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 105' ' ' THR . 53.5 Cg_endo -69.76 170.09 17.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.73 177.85 5.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.62 -178.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.64 42.19 13.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.05 117.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.53 125.62 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.28 98.56 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.96 137.3 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.44 109.62 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.3 mt -79.19 -54.89 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.968 HG22 ' HB3' ' A' ' 34' ' ' ALA . 3.3 t -149.18 176.56 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -47.38 -42.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.706 ' H ' HG23 ' A' ' 31' ' ' THR . 5.3 p-10 -115.5 45.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.968 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -158.85 138.9 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 t -152.94 114.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.7 tpt180 -93.28 97.17 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.726 HG21 ' CD2' ' A' ' 93' ' ' PHE . 59.1 t -84.18 109.91 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -111.2 138.9 47.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.601 ' CE2' HG11 ' A' ' 95' ' ' VAL . 45.0 p90 -136.77 173.44 11.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.24 167.81 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -150.82 144.23 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.905 ' N ' HD22 ' A' ' 55' ' ' LEU . 6.9 m-85 -116.6 122.68 45.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 58' ' ' VAL . 25.3 m -101.77 155.96 17.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.423 ' N ' HG22 ' A' ' 57' ' ' THR . 45.2 t -139.93 123.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -115.25 157.99 22.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.541 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 41.0 p90 -167.5 144.98 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -162.33 154.72 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p -40.64 126.23 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 6.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.974 0.416 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 43.6 tttt -77.61 161.23 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 m -161.48 142.54 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.4 147.69 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.81 118.05 35.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -134.7 134.47 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.1 p -89.74 31.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 p -128.28 171.92 11.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -95.12 22.67 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.475 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 82.4 p -161.34 142.13 11.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -132.56 140.48 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -104.82 107.84 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -85.75 99.16 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.9 p -100.38 155.44 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.09 52.83 8.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.651 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -110.46 -178.78 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.466 ' HD2' HG21 ' A' ' 89' ' ' THR . 2.3 ttmp? -87.2 128.93 53.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.9 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.73 46.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.401 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 2.2 t-20 60.44 35.07 20.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.466 HG21 ' HD2' ' A' ' 86' ' ' LYS . 1.9 m -139.4 134.27 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.419 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 24.3 ttp -104.23 151.08 23.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -137.76 179.16 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.493 ' HG3' HG23 ' A' ' 109' ' ' THR . 0.9 OUTLIER -100.91 125.3 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.726 ' CD2' HG21 ' A' ' 37' ' ' VAL . 46.6 m-85 -116.48 144.76 43.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -153.77 170.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' A' ' 39' ' ' TRP . 43.3 t -142.55 150.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -146.16 -176.03 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.584 HG13 ' HE3' ' A' ' 19' ' ' MET . 9.3 p -142.99 140.75 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.4 m -119.05 94.91 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -126.04 142.99 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 3.8 t-20 74.96 47.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 3.8 ptm180 46.68 36.02 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -151.99 144.82 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.3 p -95.47 141.72 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 105' ' ' THR . 12.2 t -95.37 -179.0 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 104' ' ' SER . 8.2 t -87.67 152.35 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -72.16 146.6 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -84.35 -174.85 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 19.1 ptm -47.5 140.05 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.493 HG23 ' HG3' ' A' ' 92' ' ' GLU . 51.9 m -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.01 123.33 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -92.87 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.412 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -163.86 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -81.05 142.01 33.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -81.28 158.53 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.7 153.64 38.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 13.2 tt0 -70.41 116.77 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.522 ' HE2' HG13 ' A' ' 97' ' ' VAL . 14.3 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.94 114.77 11.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 160.78 48.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.73 169.87 17.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -131.69 179.64 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.36 45.99 16.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -70.5 118.62 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.921 ' NE2' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -121.96 137.93 54.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.78 101.11 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.921 HG23 ' NE2' ' A' ' 26' ' ' GLN . 99.2 t -92.43 141.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.9 115.3 30.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.54 ' CD1' HG23 ' A' ' 81' ' ' THR . 14.4 mt -81.85 -53.47 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.916 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -146.61 176.1 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.438 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 37.1 p-80 -44.94 -45.63 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.702 ' H ' HG23 ' A' ' 31' ' ' THR . 19.8 p-10 -115.23 41.24 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.916 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.32 130.76 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 3.0 t -142.11 119.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' VAL . 13.5 tpp180 -93.82 105.78 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.818 HG21 ' CD2' ' A' ' 93' ' ' PHE . 44.7 t -100.81 112.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -125.59 132.98 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.734 ' CE2' HG11 ' A' ' 95' ' ' VAL . 14.1 p90 -120.86 -174.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.98 146.81 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.84 0.353 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 74' ' ' ASP . 4.3 tp -104.64 143.15 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -118.2 131.79 56.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -111.05 153.06 26.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.171 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.9 t -132.44 114.41 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 7.7 ptm180 -109.54 150.51 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.497 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 43.2 p90 -159.57 145.32 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -157.8 147.3 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 2.9 p -33.85 127.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 5.7 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 39.1 tttt -77.04 166.39 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.04 142.51 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -145.55 132.61 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.553 ' HB3' HD11 ' A' ' 55' ' ' LEU . 79.3 m-20 -87.85 139.63 30.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -151.3 140.12 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -92.81 31.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 167.92 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -93.44 25.64 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -153.92 133.03 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -131.93 150.22 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 30' ' ' LEU . 11.7 m -115.77 97.74 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.612 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -73.17 105.05 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 p -105.35 159.02 16.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.92 48.57 20.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -107.06 -175.07 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 22.5 ttmt -96.82 133.92 23.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 150.53 67.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.74 27.1 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.8 m -133.22 132.04 41.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 14.3 tmm? -104.62 152.42 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -136.83 -174.14 3.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 92.1 mt-10 -100.07 144.75 28.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.818 ' CD2' HG21 ' A' ' 37' ' ' VAL . 72.9 m-85 -134.02 135.86 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -143.94 -177.83 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.734 HG11 ' CE2' ' A' ' 39' ' ' TRP . 58.6 t -154.97 144.87 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -147.11 172.68 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.522 HG13 ' HE2' ' A' ' 19' ' ' MET . 4.1 p -137.85 141.56 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.8 m -119.45 95.87 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 19.9 ttpt -126.0 144.52 50.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 6.2 t-20 74.29 47.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 21.7 ptt180 47.84 30.99 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 7.0 ptp180 -148.65 146.09 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 p -103.91 141.89 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -93.85 -174.95 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.9 t -88.68 158.51 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.576 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 55.4 m95 -80.66 138.84 36.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' MET . 41.2 t -77.71 170.01 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' SER . 3.3 ptm -34.74 151.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.3 m -96.23 135.48 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 127.28 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.456 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 5.6 m-70 -93.2 135.99 33.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.89 119.01 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -87.47 154.32 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 p -94.9 160.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -71.31 155.38 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.58 117.8 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.46 ' HE3' HG13 ' A' ' 97' ' ' VAL . 81.6 mmm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.24 115.42 13.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 169.41 18.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.97 8.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.04 -178.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.72 41.84 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG21 ' OG ' ' A' ' 107' ' ' SER . 5.2 t -72.86 125.02 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -133.32 132.66 41.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 112' ' ' ALA . . . -103.15 104.5 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 3.3 t -91.31 130.02 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.57 109.57 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 36' ' ' ARG . 15.2 mt -81.07 -53.29 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.972 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.4 t -148.34 176.02 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -46.07 -46.78 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.682 ' H ' HG23 ' A' ' 31' ' ' THR . 16.0 p30 -113.91 41.95 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.972 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.37 134.9 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG12 HG23 ' A' ' 37' ' ' VAL . 10.9 t -148.03 118.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.652 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.8 tpt180 -93.21 96.06 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.609 HG21 ' CD2' ' A' ' 93' ' ' PHE . 57.8 t -88.1 111.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.68 152.56 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.444 ' CE2' HG11 ' A' ' 95' ' ' VAL . 33.4 p90 -143.79 -179.52 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.18 157.99 20.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.436 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.3 tp -129.06 144.3 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.51 139.15 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 58' ' ' VAL . 8.2 m -121.29 157.52 30.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' THR . 11.0 t -136.53 123.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 70' ' ' TYR . 6.9 ptm180 -114.56 149.78 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 33.7 p90 -168.27 142.13 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 70' ' ' TYR . 7.0 ptt85 -159.58 157.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.439 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 7.1 p -36.56 134.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 59' ' ' ARG . 4.0 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.994 0.426 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 28.2 tttt -89.57 165.67 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 p -157.63 126.42 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 7.4 tm-20 -130.34 130.88 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -87.88 123.36 32.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -143.28 143.31 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -101.16 23.52 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -121.03 163.88 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 17.0 mt -89.32 10.47 22.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -148.27 133.86 18.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' A' ' 73' ' ' GLU . 81.0 t80 -128.7 149.2 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.501 HG23 ' CD1' ' A' ' 30' ' ' LEU . 5.8 m -115.39 101.87 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.796 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -76.14 100.43 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -96.94 150.01 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.88 52.97 6.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.796 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.7 mt -107.4 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.356 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 21.6 tttp -92.65 130.41 37.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.51 38.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 59.32 35.96 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -139.48 124.1 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -95.61 150.88 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.45 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -136.9 174.76 10.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 109' ' ' THR . 1.1 tt0 -103.1 125.05 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.609 ' CD2' HG21 ' A' ' 37' ' ' VAL . 44.5 m-85 -114.74 146.47 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -153.52 145.18 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 39' ' ' TRP . 11.3 t -114.58 155.27 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -151.29 -175.02 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.46 HG13 ' HE3' ' A' ' 19' ' ' MET . 3.7 p -143.3 143.13 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 102' ' ' ARG . 51.6 m -124.58 95.54 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -123.94 160.98 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 64.99 31.91 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 62.81 25.6 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 2.6 ptm85 -143.79 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 p -106.62 144.31 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.6 p -101.78 -178.88 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 t -76.92 169.81 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 84.4 m95 -88.62 161.24 17.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.477 ' OG ' HG21 ' A' ' 25' ' ' VAL . 90.2 p -98.67 179.87 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.8 ptm -47.23 129.52 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 110' ' ' ALA . 49.2 m -71.22 157.58 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 109' ' ' THR . . . -130.04 116.42 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.99 133.63 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . . . -153.23 111.98 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.3 m -83.23 151.23 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.8 p -92.89 161.04 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -77.61 146.51 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.61 110.5 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' HG13 ' A' ' 97' ' ' VAL . 28.2 mmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -104.81 105.51 51.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.674 0.749 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.86 169.93 17.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.73 2.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.6 -176.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.76 37.87 7.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 21.9 t -69.6 110.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 111.082 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -116.89 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.02 101.06 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -90.31 132.82 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.15 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.55 -54.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.946 HG22 ' HB3' ' A' ' 34' ' ' ALA . 2.9 t -147.06 176.44 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -50.06 -36.64 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.851 ' H ' HG23 ' A' ' 31' ' ' THR . 82.9 m-20 -120.51 42.43 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.946 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -157.02 139.98 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 t -153.36 119.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -93.8 104.52 16.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 93' ' ' PHE . 31.5 t -98.62 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.9 m -118.86 132.05 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.642 ' CD2' HG21 ' A' ' 95' ' ' VAL . 21.4 p90 -121.56 -175.72 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.47 147.95 46.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 74' ' ' ASP . 5.0 tp -148.83 149.99 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.431 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -120.66 118.41 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.4 m -99.94 149.66 23.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.78 126.04 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -121.1 152.63 38.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 46.1 p90 -165.43 132.27 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.604 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 11.0 tpt180 -165.02 158.06 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.487 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.5 p -31.43 135.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.604 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 4.1 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.941 0.401 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -86.41 165.66 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 p -160.68 123.11 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.6 145.93 49.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.842 ' HB2' HD11 ' A' ' 55' ' ' LEU . 4.1 p30 -102.13 116.36 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -137.6 149.83 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.5 p -102.55 6.57 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -104.63 166.02 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.0 mt -96.32 29.2 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -157.93 129.84 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -136.98 140.5 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 m -104.46 119.88 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.647 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -92.52 97.27 10.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.1 p -97.62 156.12 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.97 52.03 9.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.647 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.5 mt -109.75 -176.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.5 ttpt -97.28 130.76 28.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.423 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.77 144.52 54.24 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 61.6 25.62 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.2 m -131.72 128.38 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.416 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 36.1 ttp -100.48 152.43 20.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -137.06 174.74 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -101.19 125.4 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.765 ' CD2' HG21 ' A' ' 37' ' ' VAL . 56.8 m-85 -112.23 137.78 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.97 146.93 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.642 HG21 ' CD2' ' A' ' 39' ' ' TRP . 47.1 t -117.4 145.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -140.81 168.7 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.565 HG13 ' HE2' ' A' ' 19' ' ' MET . 5.5 p -128.86 140.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -124.23 96.33 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -125.76 161.79 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.03 31.81 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 62.4 32.08 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -150.78 151.74 32.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 p -101.28 143.37 31.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 59.5 p -97.41 -174.72 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 t -84.72 159.25 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -81.6 139.0 35.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.0 t -79.54 176.97 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 16.8 ptm -41.81 146.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 m -97.48 147.72 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -116.34 122.74 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -89.44 135.42 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.18 107.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -79.61 144.32 33.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.3 p -82.51 146.85 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -63.47 151.93 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -67.24 115.57 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 82.3 mmm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -133.99 115.07 13.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.629 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 -178.87 2.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.9 m -144.64 -177.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.79 44.41 17.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.678 HG21 ' OG ' ' A' ' 107' ' ' SER . 14.5 t -74.12 109.63 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -113.14 134.69 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.45 101.61 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' ARG . 20.7 t -90.09 134.63 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.72 108.89 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.6 mt -78.39 -53.99 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.901 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.72 176.14 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -44.79 -46.61 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.683 ' H ' HG23 ' A' ' 31' ' ' THR . 6.5 p30 -114.21 41.26 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.901 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.35 132.99 13.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 t -145.29 115.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.3 tpp180 -86.25 100.0 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.672 HG21 ' CD2' ' A' ' 93' ' ' PHE . 86.0 t -90.97 109.05 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.05 153.04 35.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.545 ' CE2' HG11 ' A' ' 95' ' ' VAL . 36.5 p90 -146.78 -177.69 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.96 170.67 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.0 p-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.3 tp -134.46 135.88 42.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.12 134.02 44.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 m -112.03 141.6 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.68 118.17 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.605 ' NH2' ' CD1' ' A' ' 106' ' ' TRP . 19.5 ptt180 -122.38 148.91 44.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.442 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.1 p90 -149.56 130.29 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.649 ' HE ' ' N ' ' A' ' 70' ' ' TYR . 5.8 tpp85 -130.62 143.56 50.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -47.95 135.08 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.649 ' N ' ' HE ' ' A' ' 61' ' ' ARG . 11.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.94 0.4 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 34.2 tttt -78.63 154.53 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.7 p -147.42 132.24 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -142.16 139.79 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.582 ' HB2' HD11 ' A' ' 55' ' ' LEU . 2.0 p30 -88.89 134.32 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -149.96 128.72 12.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.8 p -93.59 36.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . 27.8 m -140.06 169.0 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.5 mt -94.49 24.91 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -157.74 131.24 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -131.82 151.06 51.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.644 HG23 ' CD1' ' A' ' 30' ' ' LEU . 4.4 m -113.08 102.76 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.639 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -76.61 99.12 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 p -102.12 154.4 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.8 48.25 10.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.639 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.1 mt -108.85 -174.72 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 89' ' ' THR . 16.6 ttpp -97.37 134.12 23.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 156.48 63.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.4 p30 45.08 37.79 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.6 HG21 ' HE3' ' A' ' 86' ' ' LYS . 1.6 m -143.09 126.06 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.401 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 12.2 tmm? -101.93 152.58 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.4 OUTLIER -138.26 -179.89 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.452 ' HG2' HG23 ' A' ' 109' ' ' THR . 0.0 OUTLIER -100.77 125.98 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.672 ' CD2' HG21 ' A' ' 37' ' ' VAL . 57.2 m-85 -115.04 150.76 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -153.52 -178.53 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.629 HG12 ' HG3' ' A' ' 22' ' ' PRO . 64.9 t -152.43 145.44 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 103' ' ' SER . 5.5 ppp? -149.43 -176.2 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.84 144.27 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.3 m -115.49 97.97 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.57 154.09 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 49.5 m-20 63.54 40.55 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 54.57 28.62 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.46 145.59 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 17.2 p -94.03 137.13 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 105' ' ' THR . 11.1 t -87.91 179.3 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.447 ' N ' ' OG ' ' A' ' 104' ' ' SER . 11.7 t -79.57 172.68 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.605 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 76.0 m95 -95.64 145.24 25.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.678 ' OG ' HG21 ' A' ' 25' ' ' VAL . 96.4 p -81.18 -176.53 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.5 ptm -51.17 145.04 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.452 HG23 ' HG2' ' A' ' 92' ' ' GLU . 23.6 m -82.3 137.48 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.38 122.82 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -92.15 141.35 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.67 114.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 m -86.05 148.6 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.8 p -87.47 164.63 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -72.61 149.3 44.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.01 108.49 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.581 ' HE2' HG13 ' A' ' 97' ' ' VAL . 13.5 mtp . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -127.47 115.06 21.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.932 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.428 ' N ' HD13 ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.74 160.77 48.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.69 -176.81 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.95 -175.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.32 29.04 6.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 25' ' ' VAL . 2.5 t -60.62 111.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.311 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.98 123.07 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 97.56 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.9 t -92.61 136.03 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.23 112.9 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.1 mt -78.63 -52.42 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.896 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.54 175.97 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -44.75 -47.34 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.667 ' H ' HG23 ' A' ' 31' ' ' THR . 6.6 p-10 -113.17 42.18 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.896 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -154.11 132.93 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -144.97 117.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tpp85 -90.11 111.62 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG21 ' HD2' ' A' ' 93' ' ' PHE . 48.5 t -99.06 106.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -116.21 133.57 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.485 ' CE3' HG21 ' A' ' 95' ' ' VAL . 37.5 p90 -129.49 173.49 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.99 151.17 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 14.4 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.7 tp -131.0 142.45 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.54 128.55 55.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -109.15 150.53 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.59 124.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HG2' ' CH2' ' A' ' 106' ' ' TRP . 0.2 OUTLIER -132.04 144.89 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 24.0 p90 -148.83 139.51 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.545 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 7.5 tmm_? -136.23 139.52 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.422 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 4.7 p -36.16 137.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 91' ' ' TYR . 37.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 9.9 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -84.67 169.96 13.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -161.38 138.94 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -145.26 151.32 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.1 p-10 -103.79 127.14 51.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -144.37 130.86 19.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 p -90.79 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -135.72 164.59 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 18.7 mt -90.25 30.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -161.9 130.48 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -133.82 140.87 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 ' CD1' ' A' ' 30' ' ' LEU . 11.9 m -101.37 108.73 20.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.01 103.46 10.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -104.0 150.26 24.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.77 49.15 5.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mt -107.88 177.02 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttmm -92.22 133.13 30.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.83 63.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.452 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 1.8 t-20 53.98 27.88 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -132.27 132.43 43.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.7 ttp -106.57 150.98 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -138.77 -174.27 3.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.503 ' HG2' HG21 ' A' ' 109' ' ' THR . 27.1 mt-10 -100.19 140.02 35.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' HD2' HG21 ' A' ' 37' ' ' VAL . 58.3 m-85 -129.99 143.14 50.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -154.01 -178.64 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.485 HG21 ' CE3' ' A' ' 39' ' ' TRP . 97.5 t -151.6 150.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 12.7 ptm -150.39 173.07 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.581 HG13 ' HE2' ' A' ' 19' ' ' MET . 7.1 p -140.05 133.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.5 m -107.2 94.15 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 13.0 ttpt -121.58 154.93 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 8.5 m-80 64.32 46.98 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 8.3 ptp180 47.45 35.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.7 ptm85 -153.64 154.5 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.92 138.76 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 17.4 p -92.28 -174.4 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -87.41 161.49 17.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 79.5 m95 -83.8 136.31 34.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -66.65 -174.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.41 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -51.89 153.19 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.503 HG21 ' HG2' ' A' ' 92' ' ' GLU . 86.1 m -87.98 132.21 34.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.57 123.96 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -97.2 134.49 40.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.57 112.49 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -82.55 149.85 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 p -90.77 161.87 15.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -75.23 145.02 42.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.452 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 16.2 tt0 -63.05 111.5 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HE2' ' HB3' ' A' ' 99' ' ' LYS . 53.6 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -153.04 112.94 2.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -178.69 2.44 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -143.68 -177.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.48 34.09 18.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.0 t -63.83 108.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.09 136.94 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -109.19 101.47 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.2 t -93.46 133.38 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.16 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.643 HD21 ' CB ' ' A' ' 36' ' ' ARG . 6.4 mt -80.8 -51.75 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.913 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -148.72 174.76 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -44.81 -44.75 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.72 ' H ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -115.01 41.09 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.913 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.7 132.79 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.11 113.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.643 ' CB ' HD21 ' A' ' 30' ' ' LEU . 9.4 tpp85 -85.9 107.88 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.662 HG21 ' CD2' ' A' ' 93' ' ' PHE . 43.5 t -94.84 109.3 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -118.87 137.53 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.509 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 34.6 p90 -133.83 -175.54 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.82 161.27 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 10.9 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.3 tp -115.02 146.92 40.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.439 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -109.39 127.48 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -108.41 150.44 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.17 125.32 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -128.21 155.25 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 48.5 p90 -160.1 131.62 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.535 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -134.89 145.36 48.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -38.07 139.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.83 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.7 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.996 0.427 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 7.5 ttmm -72.82 157.14 38.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -155.8 126.65 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -129.29 157.2 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.723 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.2 p-10 -110.05 131.0 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -150.35 144.66 25.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 p -97.33 4.85 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -101.95 173.24 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 80.4 mt -100.72 19.52 16.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -151.57 128.72 11.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -129.44 139.5 51.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.493 HG23 HD11 ' A' ' 30' ' ' LEU . 3.6 m -101.58 113.33 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -85.77 101.99 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -102.08 158.66 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.9 55.43 7.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.566 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.2 mt -114.93 -176.81 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -99.15 136.83 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.8 65.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.19 39.68 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m -142.95 128.24 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.413 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 13.7 tmm? -103.88 152.96 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -138.67 -179.38 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 5.4 tt0 -102.27 125.77 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.662 ' CD2' HG21 ' A' ' 37' ' ' VAL . 21.0 m-85 -116.71 141.92 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -151.58 166.36 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.452 HG21 ' CE3' ' A' ' 39' ' ' TRP . 42.1 t -137.61 154.57 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.59 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 20.9 ptm -151.95 -175.0 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CE ' ' A' ' 19' ' ' MET . 1.3 p -143.02 138.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 102' ' ' ARG . 93.0 m -119.6 94.09 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.538 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -126.41 152.18 46.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.447 ' HB2' ' CD ' ' A' ' 99' ' ' LYS . 33.0 t-20 74.29 31.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 63.03 28.08 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 98' ' ' THR . 6.5 ptm180 -146.82 154.12 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.467 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 94.9 p -106.01 133.64 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 1.3 t -89.78 175.19 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 104' ' ' SER . 15.0 t -75.87 169.24 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.59 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 84.1 m95 -88.25 158.24 18.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t -97.61 176.07 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.3 ptm -40.08 131.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 19.4 m -78.81 154.34 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.26 124.39 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.57 129.06 39.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . -146.96 114.91 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -86.69 146.91 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.8 p -88.24 154.01 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -71.62 151.49 43.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -68.43 111.67 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.451 ' HE3' HG13 ' A' ' 97' ' ' VAL . 63.2 mmm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -118.78 123.94 28.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.77 166.44 27.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.7 m -144.09 -176.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.49 45.92 5.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.75 102.93 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.79 148.53 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -118.76 100.47 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 22.3 t -92.59 134.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.79 113.96 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.1 mt -85.19 -52.35 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.922 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.1 t -149.1 172.15 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -40.96 -48.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.642 ' H ' HG23 ' A' ' 31' ' ' THR . 21.5 p-10 -113.35 43.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.922 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -155.33 126.05 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -138.24 111.58 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 30' ' ' LEU . 12.7 tpp180 -81.99 112.19 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.01 107.03 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.2 p -109.88 141.6 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.537 ' CE2' HG11 ' A' ' 95' ' ' VAL . 46.1 p90 -142.12 177.41 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.88 167.95 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.5 tp -128.48 135.29 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.64 127.01 53.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 58' ' ' VAL . 25.6 m -102.13 156.74 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 57' ' ' THR . 16.1 t -141.59 123.52 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.0 ptt85 -129.97 159.35 36.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.501 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 32.5 p90 -159.71 141.66 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 2.2 ttt180 -139.08 143.54 38.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -42.8 126.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.838 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CE1' ' HD2' ' A' ' 61' ' ' ARG . 13.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.932 0.396 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -96.58 154.99 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -145.83 140.8 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -147.14 136.08 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.454 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -87.94 139.31 30.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -153.1 128.61 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.9 p -94.04 39.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.1 m -143.63 170.14 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -94.88 25.27 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -160.99 124.12 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -124.68 151.1 45.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.415 HG23 ' CD1' ' A' ' 30' ' ' LEU . 35.0 m -112.99 99.09 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.43 104.18 4.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.8 p -105.8 158.52 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.52 43.93 11.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.99 -179.92 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -95.07 134.09 25.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.477 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.71 153.99 68.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 12.1 p30 51.8 30.52 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 m -135.82 139.56 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.481 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.3 ttp -114.54 153.22 30.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -144.55 -178.34 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 109' ' ' THR . 0.4 OUTLIER -106.54 141.59 37.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 72.0 m-85 -128.75 137.55 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -140.45 145.27 36.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 39' ' ' TRP . 24.8 t -118.14 152.01 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -148.89 -175.09 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.451 HG13 ' HE3' ' A' ' 19' ' ' MET . 3.6 p -144.25 148.65 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 102' ' ' ARG . 51.8 m -126.94 98.95 5.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -126.44 157.83 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 64.01 40.25 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 55.8 28.19 11.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.6 ptm85 -145.16 153.91 41.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -98.67 148.16 24.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 105' ' ' THR . 13.9 t -96.4 -179.7 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.1 t -86.92 160.17 18.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -83.35 136.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 t -80.42 179.26 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.7 ptm -48.16 123.33 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 92' ' ' GLU . 29.6 m -72.12 144.65 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.51 160.76 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -122.43 150.27 42.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . -167.46 119.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.481 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.4 m -88.99 147.74 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.6 p -92.3 150.07 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -61.08 152.16 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -71.16 110.72 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.515 ' CB ' ' HB2' ' A' ' 104' ' ' SER . 14.4 mtp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 106.68 5.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 161.02 47.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -154.1 -179.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.89 51.72 23.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.09 119.72 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -120.86 130.8 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -107.71 100.9 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' ARG . 43.3 t -94.28 140.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.72 114.11 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' CD1' HG23 ' A' ' 81' ' ' THR . 19.0 mt -82.13 -52.03 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.91 HG23 ' H ' ' A' ' 33' ' ' ASP . 2.5 t -147.92 176.43 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -49.13 -34.65 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.91 ' H ' HG23 ' A' ' 31' ' ' THR . 74.1 m-20 -123.05 41.17 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.893 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.54 139.0 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -147.89 115.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.9 tpp180 -88.97 109.92 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 93' ' ' PHE . 59.8 t -101.28 111.95 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.18 153.75 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.805 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.417 ' CD2' HG21 ' A' ' 95' ' ' VAL . 40.6 p90 -147.77 -175.15 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.21 137.01 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 74' ' ' ASP . 4.2 tp -120.29 143.35 48.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.78 129.88 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -113.2 150.83 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' SER . 26.9 t -134.32 128.68 52.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.485 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 31.7 ptt85 -121.42 151.63 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.575 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 41.5 p90 -154.88 125.96 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.59 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -134.98 142.12 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.485 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 5.9 p -39.25 135.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.824 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.59 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 11.4 tttp -101.9 145.22 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.485 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . 1.2 t -162.48 153.99 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 80' ' ' TYR . 5.2 pt-20 -151.67 171.74 17.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.705 ' HB2' HD11 ' A' ' 55' ' ' LEU . 5.4 p-10 -87.68 145.54 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 75' ' ' THR . 11.4 t -154.93 109.24 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.7 p -79.85 41.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -142.26 153.26 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.46 18.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.6 p -153.43 119.78 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 73' ' ' GLU . 54.7 t80 -110.15 151.57 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.3 m -123.95 101.32 7.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -75.91 100.68 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -104.23 146.97 28.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 44.15 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.679 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.2 mt -105.63 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -94.33 137.84 22.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.504 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.5 Cg_endo -69.82 161.1 47.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.286 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 87' ' ' PRO . 3.1 p-10 43.47 35.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 m -137.86 138.83 39.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.521 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.6 ttp -113.9 149.29 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -135.74 -179.65 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' CG ' HG21 ' A' ' 109' ' ' THR . 3.0 pt-20 -111.23 125.42 53.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.7 m-85 -112.1 154.36 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -153.4 170.33 20.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.417 HG21 ' CD2' ' A' ' 39' ' ' TRP . 26.5 t -139.36 154.74 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 25.1 ptm -154.04 -176.3 5.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.458 HG13 ' HE2' ' A' ' 19' ' ' MET . 7.5 p -146.84 142.37 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.5 m -120.85 94.93 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 12.0 ttpt -126.47 150.24 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 72.87 37.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 58.56 25.18 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -142.03 149.77 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -101.3 136.85 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.515 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 16.4 t -88.01 -178.15 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.5 t -88.9 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.601 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 56.2 m95 -79.85 138.64 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' MET . 64.6 p -77.85 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.827 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' SER . 7.9 ptm -35.94 121.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.487 HG21 ' CG ' ' A' ' 92' ' ' GLU . 9.8 m -73.8 128.5 35.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.97 163.0 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -123.39 157.15 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.433 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -172.93 117.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.521 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.2 m -90.0 148.24 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -93.13 149.34 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -61.5 136.29 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.72 123.36 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 12.7 mtp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -140.57 111.58 6.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -177.79 2.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 m -150.52 -175.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.39 31.14 34.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.517 HG21 ' OG ' ' A' ' 107' ' ' SER . 2.9 t -66.63 116.04 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -117.48 125.42 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 100.87 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.55 134.84 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.18 114.81 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 81' ' ' THR . 12.7 mt -84.89 -51.73 6.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.915 HG22 ' CB ' ' A' ' 34' ' ' ALA . 2.2 t -148.65 176.15 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 17.5 p-80 -49.19 -38.1 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.834 ' H ' HG23 ' A' ' 31' ' ' THR . 2.5 p30 -119.25 41.95 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.915 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.74 148.17 26.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' ALA . 16.7 t -159.72 114.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HB2' HD21 ' A' ' 30' ' ' LEU . 13.9 tpp180 -87.2 103.74 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.51 110.65 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.0 p -120.92 138.15 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.528 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 44.7 p90 -131.93 -178.56 4.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.32 149.5 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.606 ' N ' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.5 tp -138.75 136.18 35.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -108.74 126.12 52.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.7 m -110.63 147.81 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -132.31 112.56 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' LYS . 5.1 ptp180 -112.3 152.34 28.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -151.51 130.92 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.6 tmm_? -136.36 140.12 43.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 p -39.16 140.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 4.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.948 0.404 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 6.7 tttp -100.56 148.99 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.8 p -161.43 161.23 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -143.58 151.97 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.66 124.06 37.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.7 t -138.31 147.75 43.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.6 p -101.4 21.04 14.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 p -119.06 178.33 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.528 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 96.5 mt -101.92 15.38 29.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.7 p -150.67 138.26 19.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -138.1 141.6 40.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.467 HG23 ' CD1' ' A' ' 30' ' ' LEU . 3.4 m -102.34 114.86 29.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -87.98 99.13 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.1 p -102.13 153.34 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 50.17 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -114.64 165.13 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -75.18 132.86 75.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.78 156.35 63.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 12.6 p30 46.51 40.37 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.5 m -143.57 136.68 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.504 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 59.5 ttp -106.74 151.64 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -138.69 -177.86 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.765 ' HG3' HG23 ' A' ' 109' ' ' THR . 5.6 tt0 -101.77 128.64 48.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -120.19 142.03 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.7 p -154.38 179.83 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 96' ' ' MET . 38.4 t -146.69 156.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.584 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 7.6 ptm -149.01 -176.43 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.412 HG13 ' HE2' ' A' ' 19' ' ' MET . 2.6 p -147.99 146.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -121.34 99.2 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -123.37 150.95 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.34 36.57 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 60.24 26.19 15.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.2 ptt-85 -140.48 147.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -103.33 130.41 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 20.9 p -85.4 -175.6 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.822 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -80.9 162.68 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.584 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 73.8 m95 -83.33 148.04 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.517 ' OG ' HG21 ' A' ' 25' ' ' VAL . 79.8 p -75.03 -174.57 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.414 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -53.89 154.07 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.765 HG23 ' HG3' ' A' ' 92' ' ' GLU . 63.8 m -89.02 126.66 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.78 114.95 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -87.74 139.03 30.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.86 110.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -79.61 150.76 30.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.9 p -89.42 160.5 16.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -70.19 147.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.52 113.72 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.568 ' HE3' HG13 ' A' ' 97' ' ' VAL . 79.2 mmm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -131.73 116.4 15.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 163.35 38.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.81 177.87 5.17 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.51 -176.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 32.46 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.35 111.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -117.55 146.94 43.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.14 99.95 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.5 t -91.62 132.92 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.43 116.0 28.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 36' ' ' ARG . 10.3 mt -86.8 -53.49 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.917 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.1 t -148.42 172.67 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 26.6 p-80 -41.12 -48.84 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.644 ' H ' HG23 ' A' ' 31' ' ' THR . 1.1 p30 -113.37 42.14 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.917 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.35 127.19 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 37' ' ' VAL . 4.7 t -139.91 113.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.654 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.8 tpt180 -87.21 93.15 9.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.676 HG21 ' CD2' ' A' ' 93' ' ' PHE . 84.6 t -84.78 109.57 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.93 152.99 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 78' ' ' LEU . 35.6 p90 -144.23 -178.61 6.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.87 152.49 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.484 ' HB2' HD21 ' A' ' 78' ' ' LEU . 56.0 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.507 ' HA ' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.2 tp -91.21 130.34 37.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -98.51 128.62 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -108.19 142.69 38.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG12 ' CE3' ' A' ' 60' ' ' TRP . 16.8 t -115.92 121.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 2.4 ptp180 -127.39 149.85 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.489 ' CB ' ' O ' ' A' ' 92' ' ' GLU . 37.4 p90 -159.11 154.75 26.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.572 ' CB ' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ttp180 -152.77 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 p -50.04 127.71 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' CB ' ' A' ' 61' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -88.72 174.48 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 p -161.23 134.58 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -138.8 154.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.09 121.57 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 t -140.35 132.38 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -93.57 29.8 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -132.11 172.86 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 41' ' ' ASP . 10.6 mt -96.67 24.0 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 p -156.95 131.45 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.89 150.27 49.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.45 HG23 ' CD1' ' A' ' 30' ' ' LEU . 26.2 m -112.15 99.53 8.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -73.7 103.69 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -103.56 152.52 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.94 48.61 6.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.3 mt -110.48 171.3 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.81 132.61 48.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.77 153.25 69.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.6 p30 48.54 33.44 4.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 91' ' ' TYR . 77.2 m -139.93 128.04 22.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -98.67 145.42 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.545 ' HE2' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -131.5 -173.41 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 60' ' ' TRP . 11.8 mt-10 -100.23 143.49 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.676 ' CD2' HG21 ' A' ' 37' ' ' VAL . 89.4 m-85 -133.7 139.76 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t -152.52 178.8 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 96' ' ' MET . 28.3 t -151.89 154.92 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.522 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -154.02 -176.37 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.568 HG13 ' HE3' ' A' ' 19' ' ' MET . 4.7 p -137.72 145.86 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -129.85 97.03 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -126.92 154.76 44.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 4.9 m-20 66.77 41.52 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 50.03 42.18 24.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 4.2 ptp180 -158.14 139.18 13.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.418 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 92.2 p -89.39 147.91 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 12.9 p -105.69 -174.35 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -84.85 165.26 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 59' ' ' ARG . 78.1 m95 -91.88 172.03 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.1 t -112.36 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 ptm -38.86 142.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.7 m -84.14 151.1 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.04 36.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -91.69 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.81 105.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -72.61 146.13 46.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -86.77 153.93 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -64.04 140.28 58.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 117' ' ' ALA . 17.7 tt0 -62.93 107.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 116' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.439 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 69.8 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.45 107.16 7.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 169.57 18.49 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.558 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.84 173.62 10.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.87 -176.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.64 60.77 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' OG ' ' A' ' 107' ' ' SER . 55.4 t -82.79 111.45 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -112.02 140.52 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 112' ' ' ALA . . . -114.36 105.47 13.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.4 t -94.67 134.37 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.85 109.84 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.7 mt -79.9 -55.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.91 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -146.48 176.12 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -44.13 -46.85 8.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.674 ' H ' HG23 ' A' ' 31' ' ' THR . 7.6 p30 -114.86 42.08 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.91 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.65 130.63 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 5.1 t -141.73 113.92 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.549 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.5 tpp85 -86.66 103.85 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.22 111.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.0 p -120.9 133.12 55.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' HG21 ' A' ' 95' ' ' VAL . 35.0 p90 -129.46 178.3 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.0 166.74 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 74' ' ' ASP . 4.7 tp -125.82 139.89 53.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.67 132.33 54.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -112.09 153.98 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 95' ' ' VAL . 98.9 t -136.03 123.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CE2' ' A' ' 70' ' ' TYR . 3.7 ptm180 -122.24 167.35 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 44.5 p90 -167.72 140.65 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.616 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 6.8 ttp85 -137.95 145.41 41.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.467 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -47.43 133.77 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.887 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 6.3 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.963 0.411 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -79.61 157.71 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -156.0 149.58 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -146.91 138.65 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.597 ' HB2' HD11 ' A' ' 55' ' ' LEU . 15.4 p-10 -91.79 117.28 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 t -133.58 145.6 50.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -97.44 8.86 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -108.41 167.67 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 mt -92.52 19.9 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -154.45 131.53 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 81' ' ' THR . 10.0 t80 -128.69 140.85 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 2.7 m -98.13 125.72 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.576 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -95.19 98.29 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 p -100.7 157.16 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.01 48.8 18.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.9 mt -109.25 -177.88 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.368 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttpt -99.19 136.95 20.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.428 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.76 158.32 57.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 44.06 26.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 m -130.52 125.28 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.665 ' HB2' HG23 ' A' ' 113' ' ' THR . 14.1 tmm? -102.99 153.12 20.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -140.67 -175.41 4.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HG3' HG21 ' A' ' 109' ' ' THR . 3.1 pt-20 -112.22 125.6 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 109' ' ' THR . 18.8 m-85 -112.47 156.98 21.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.6 p -154.18 169.19 24.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG21 ' CE3' ' A' ' 39' ' ' TRP . 47.3 t -139.9 144.42 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 106' ' ' TRP . 5.0 ppp? -141.55 -175.46 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.08 143.62 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 102' ' ' ARG . 93.6 m -124.21 98.42 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -126.05 144.27 50.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 14.8 t-20 73.55 49.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 7.9 ptm180 44.78 34.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 98' ' ' THR . 1.7 ptm85 -150.74 153.43 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 m -109.82 147.28 33.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.439 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 54.2 p -106.8 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.0 t -77.41 159.3 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.593 ' CZ3' ' HG3' ' A' ' 96' ' ' MET . 62.3 m95 -84.43 143.71 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.519 ' OG ' HG21 ' A' ' 25' ' ' VAL . 94.7 p -72.37 177.89 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.3 ptm -47.39 123.14 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 93' ' ' PHE . 29.2 m -74.44 135.75 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -107.66 170.02 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -128.18 153.07 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . . . -168.33 116.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 90' ' ' MET . 2.0 m -84.28 155.27 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.0 p -99.84 157.33 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.8 133.15 45.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -52.04 127.2 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.6 mmm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.815 0.341 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD13 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -109.98 116.39 53.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.424 ' HD2' HD13 ' A' ' 20' ' ' LEU . 53.4 Cg_endo -69.75 169.74 18.18 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.733 2.289 . . . . 0.0 112.324 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 m -145.95 -178.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.99 27.54 3.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.28 108.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -114.56 137.16 52.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.64 99.13 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ARG . 31.5 t -85.44 135.63 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.41 111.11 23.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 36' ' ' ARG . 3.3 mt -80.25 -52.01 8.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.91 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.5 t -149.11 176.21 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 33.5 p-80 -46.13 -43.25 14.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.749 ' H ' HG23 ' A' ' 31' ' ' THR . 16.3 p-10 -116.49 41.13 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.91 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.67 131.95 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -143.65 115.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.6 ' HB2' HD21 ' A' ' 30' ' ' LEU . 6.0 tpp85 -88.94 105.24 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.11 106.56 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.1 p -116.87 126.54 53.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.646 ' CE2' HG11 ' A' ' 95' ' ' VAL . 35.1 p90 -125.93 171.59 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.99 151.03 29.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.858 HD13 ' C ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.98 140.15 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.683 ' N ' HD13 ' A' ' 55' ' ' LEU . 8.8 m-85 -116.42 122.4 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 58' ' ' VAL . 58.9 m -92.37 156.17 17.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 57' ' ' THR . 23.1 t -139.68 126.59 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HD3' ' CH2' ' A' ' 106' ' ' TRP . 30.4 ptt85 -132.13 158.8 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.6 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.3 p90 -163.36 134.94 4.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.622 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -141.31 146.43 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.15 140.46 2.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.827 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.622 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 8.1 tttp -98.45 151.81 20.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -150.55 134.39 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -134.34 146.32 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.81 119.67 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -133.67 125.9 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.6 p -83.3 25.15 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -131.2 169.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.514 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.8 mt -94.69 27.98 2.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.2 p -157.69 134.1 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.536 ' CE1' ' CH2' ' A' ' 60' ' ' TRP . 32.4 t80 -138.67 140.07 38.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.559 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.0 m -99.77 113.19 25.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.41 97.56 10.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -103.36 149.11 25.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.55 46.81 5.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.68 -175.81 2.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.2 ttpp -97.58 133.22 23.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.14 62.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.454 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 2.1 t-20 55.55 32.94 20.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -139.51 126.47 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.42 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 11.4 tmm? -100.48 153.12 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.29 178.06 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.3 tt0 -101.16 125.27 47.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.0 150.75 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -153.97 158.47 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.646 HG11 ' CE2' ' A' ' 39' ' ' TRP . 61.0 t -139.62 146.72 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.509 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -143.74 -175.09 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.8 p -141.26 140.83 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 102' ' ' ARG . 99.2 m -122.62 94.86 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -124.75 152.21 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 71.72 36.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.3 31.44 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 98' ' ' THR . 6.3 ptm180 -147.79 154.46 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.6 p -103.76 141.64 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 p -99.29 -175.71 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -82.77 165.17 20.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.8 m95 -84.25 166.18 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.8 t -107.86 170.38 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 ptm -39.75 139.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.45 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 2.9 m -79.34 150.18 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.57 119.39 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -92.56 126.32 37.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.94 111.32 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -80.69 147.97 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -86.49 161.13 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -75.23 141.68 43.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.454 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 17.2 tt0 -63.29 112.07 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.543 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 71.7 mmm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -160.54 112.55 1.35 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.922 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HG3' HG23 ' A' ' 105' ' ' THR . 53.0 Cg_endo -69.78 171.18 14.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.81 178.59 4.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.08 -178.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.2 41.52 30.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 ' OG ' ' A' ' 107' ' ' SER . 16.6 t -66.0 115.85 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -116.9 134.95 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.22 101.86 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' ARG . 23.2 t -93.88 135.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.0 114.12 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 36' ' ' ARG . 21.6 mt -84.52 -52.31 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.966 HG22 ' HB3' ' A' ' 34' ' ' ALA . 2.5 t -147.43 176.1 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -50.35 -37.42 36.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.824 ' H ' HG23 ' A' ' 31' ' ' THR . 62.2 m-20 -119.37 41.96 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -156.47 143.77 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 t -152.44 117.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.4 tpp85 -90.79 107.8 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 93' ' ' PHE . 58.3 t -94.54 105.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -114.12 126.11 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 39.0 p90 -120.72 -175.65 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.29 167.46 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.6 tp -129.21 145.47 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.424 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 m-85 -111.27 125.73 54.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.7 m -103.73 148.83 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.27 125.6 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 2.9 ptp180 -127.07 146.44 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 34.8 p90 -151.81 126.06 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.9 tmt_? -130.58 140.61 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.51 131.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 8.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.893 0.378 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -91.99 158.76 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -153.79 139.55 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -144.13 148.18 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.606 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -100.81 122.5 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 t -134.61 133.71 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.5 p -91.31 25.44 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.1 m -134.31 173.76 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.542 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 17.2 mt -94.37 24.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -152.52 141.31 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 137.06 28.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.519 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.7 m -99.27 108.31 20.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -80.82 98.91 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.1 p -100.59 147.87 25.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.08 48.46 4.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.1 mt -110.28 178.37 4.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -97.59 136.78 21.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.411 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.74 158.8 55.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 15.6 p30 46.55 35.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -143.19 127.56 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.474 ' HB2' HG23 ' A' ' 113' ' ' THR . 14.3 tmm? -104.29 152.97 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 -175.43 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.554 ' HB2' HG21 ' A' ' 109' ' ' THR . 0.7 OUTLIER -113.0 126.13 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.619 ' CD2' HG21 ' A' ' 37' ' ' VAL . 5.9 m-85 -113.22 150.22 32.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.68 170.8 18.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 17.2 t -142.68 153.03 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 9.9 ptm -149.32 -175.05 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.83 146.59 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -128.69 101.81 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 27.1 ttmt -121.32 155.85 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.3 m120 59.05 30.5 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 6.8 mmp_? 63.99 25.45 13.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 7.3 ptp180 -138.26 148.49 44.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -97.52 149.07 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 78.4 p -96.71 -82.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.563 HG23 ' HG3' ' A' ' 21' ' ' PRO . 12.3 t -176.19 170.81 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 76.1 m95 -93.11 140.53 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.441 ' OG ' HG21 ' A' ' 25' ' ' VAL . 88.8 p -79.4 -178.19 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.8 ptm -48.33 122.34 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.554 HG21 ' HB2' ' A' ' 92' ' ' GLU . 53.6 m -74.69 141.73 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.23 170.55 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -135.18 135.18 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.99 121.76 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.0 OUTLIER -87.4 150.01 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.6 p -92.8 146.79 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -57.43 139.32 53.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.08 106.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.431 ' CB ' ' CB ' ' A' ' 104' ' ' SER . 17.0 mtp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.796 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -102.27 107.91 55.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.77 170.75 15.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.91 175.63 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.65 30.32 27.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.31 106.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -110.25 141.4 43.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.35 99.11 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ARG . 38.2 t -91.89 137.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 113.39 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.721 ' CD1' HG23 ' A' ' 81' ' ' THR . 7.8 mt -78.16 -52.55 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.875 HG22 ' CB ' ' A' ' 34' ' ' ALA . 2.8 t -146.68 176.58 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -49.49 -37.61 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.827 ' H ' HG23 ' A' ' 31' ' ' THR . 6.1 p-10 -118.37 42.16 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.875 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -156.14 145.72 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 5.5 t -154.45 114.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HB2' HD21 ' A' ' 30' ' ' LEU . 11.1 tpp180 -91.69 100.61 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' CD2' ' A' ' 93' ' ' PHE . 99.8 t -87.52 112.34 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -119.37 132.83 55.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.683 ' CD2' HG21 ' A' ' 95' ' ' VAL . 36.7 p90 -130.39 -177.56 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.92 141.97 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.3 tp -147.9 134.25 19.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.86 125.98 51.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -104.36 146.84 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.94 121.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -122.03 151.61 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.633 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 42.0 p90 -160.62 145.91 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.584 ' HG2' ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -163.36 154.65 16.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 15.9 p -40.41 120.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.792 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.584 ' CE2' ' HG2' ' A' ' 61' ' ' ARG . 10.5 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.956 0.408 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 11.6 ttmm -81.28 158.59 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.8 p -149.56 132.97 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -141.91 135.83 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.475 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -88.08 141.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -155.22 133.66 11.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.3 p -96.57 35.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.9 m -140.62 165.76 26.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.0 mt -92.33 27.65 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 p -160.33 128.82 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -131.38 140.7 49.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.721 HG23 ' CD1' ' A' ' 30' ' ' LEU . 17.6 m -107.88 107.33 18.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.551 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -81.95 98.86 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.9 p -97.64 154.83 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.9 52.91 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD11 ' O ' ' A' ' 82' ' ' ALA . 2.9 mt -113.17 175.77 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -86.91 134.97 35.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.459 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.4 Cg_endo -69.81 149.59 66.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 11.4 p30 50.78 35.03 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -136.47 126.29 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.453 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 12.6 tmm? -100.22 148.54 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.2 -173.1 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 35.4 mt-10 -100.35 140.98 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.703 ' CD2' HG21 ' A' ' 37' ' ' VAL . 77.9 m-85 -132.5 138.53 47.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -153.43 172.22 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.683 HG21 ' CD2' ' A' ' 39' ' ' TRP . 59.9 t -145.0 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.592 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 13.6 ptm -148.48 -178.5 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.5 p -147.31 136.59 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 102' ' ' ARG . 96.7 m -114.93 97.86 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 6.6 ttmm -126.09 154.92 42.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.33 42.29 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 10.1 tpp180 52.37 44.46 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.421 ' C ' HG23 ' A' ' 98' ' ' THR . 0.3 OUTLIER -162.41 148.26 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 p -101.85 139.85 36.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 19' ' ' MET . 7.0 p -86.84 -174.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -90.22 165.68 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 68.8 m95 -87.41 133.76 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -78.33 172.94 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.805 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 ptm -41.43 138.16 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.7 m -80.94 136.83 36.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.66 117.46 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.453 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 3.4 m-70 -89.15 131.7 35.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.04 114.4 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -84.83 142.59 29.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.4 p -82.31 165.18 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -76.23 147.87 38.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.48 108.45 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.479 ' HE1' ' HB3' ' A' ' 99' ' ' LYS . 91.9 mmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.94 118.68 16.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.5 41.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.615 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.2 Cg_endo -69.78 172.97 11.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.751 2.301 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.0 -178.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.99 34.8 16.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG21 ' OG ' ' A' ' 107' ' ' SER . 5.2 t -64.94 124.9 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.54 132.39 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.02 99.39 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' ARG . 57.6 t -91.4 139.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.51 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD11 ' NH1' ' A' ' 36' ' ' ARG . 12.8 mt -77.78 -53.24 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.973 HG22 ' HB3' ' A' ' 34' ' ' ALA . 5.9 t -147.92 176.29 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -53.3 -28.44 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.901 ' H ' HG23 ' A' ' 31' ' ' THR . 78.7 m-20 -125.22 41.58 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.973 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -160.1 146.37 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -153.51 119.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.654 ' NH1' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -92.4 105.48 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 93' ' ' PHE . 58.9 t -93.31 105.55 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 p -112.24 131.4 55.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 95' ' ' VAL . 48.9 p90 -130.76 -179.89 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.46 162.33 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 74' ' ' ASP . 10.6 tp -113.26 141.6 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -114.51 131.55 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.9 m -111.84 146.56 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -124.37 128.64 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.592 ' HD2' ' CZ2' ' A' ' 106' ' ' TRP . 6.6 ptm180 -128.26 140.03 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 40.2 p90 -147.82 130.1 15.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 2.5 tmm_? -136.63 142.71 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 19.2 p -39.55 145.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.844 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 11.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.971 0.415 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 23.3 tttt -91.5 161.11 15.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.447 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 69.3 p -155.2 134.24 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 72' ' ' SER . 6.2 mp0 -139.97 133.62 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.536 ' HB2' HD11 ' A' ' 55' ' ' LEU . 6.2 p-10 -89.03 121.31 31.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 t -145.56 144.93 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.6 p -90.69 -31.08 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.0 m -65.16 155.18 35.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.29 31.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 p -161.03 129.55 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -127.72 144.45 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 30' ' ' LEU . 8.3 m -108.75 113.9 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.557 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -86.4 96.13 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.8 p -95.78 150.85 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.0 49.59 5.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD21 ' HB1' ' A' ' 82' ' ' ALA . 6.4 mt -110.1 172.74 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 89' ' ' THR . 18.9 ttpt -88.85 136.01 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.72 154.44 67.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.4 p30 48.78 31.97 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.402 HG21 ' HE2' ' A' ' 86' ' ' LYS . 5.1 m -135.48 127.68 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.423 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 66.7 ttp -102.13 153.38 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.5 176.27 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.713 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.3 tt0 -100.81 125.11 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.406 ' CD2' HG21 ' A' ' 37' ' ' VAL . 41.6 m-85 -111.38 147.3 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -154.33 151.04 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.615 HG12 ' HG3' ' A' ' 22' ' ' PRO . 39.3 t -125.82 144.51 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.581 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 22.3 ptm -142.42 -177.9 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -136.93 141.39 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -129.14 95.58 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.479 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 0.1 OUTLIER -126.07 153.22 44.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 8.9 m-20 68.61 38.39 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 54.3 38.93 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -154.06 141.9 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 3.6 p -101.11 144.22 30.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.7 t -76.51 163.05 27.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 78.6 m95 -89.26 143.42 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.412 ' OG ' HG21 ' A' ' 25' ' ' VAL . 79.9 p -70.55 -174.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -55.69 155.88 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.713 HG23 ' HG3' ' A' ' 92' ' ' GLU . 18.8 m -85.87 135.16 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.66 113.78 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -88.09 138.81 31.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.44 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -76.01 152.27 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 p -90.42 169.42 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.71 107.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 48.5 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.843 0.354 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -158.32 115.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.921 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.58 ' HG3' HG23 ' A' ' 105' ' ' THR . 53.8 Cg_endo -69.77 171.16 14.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.71 179.83 3.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.91 -177.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.32 50.83 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.23 120.94 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -123.47 125.17 44.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.96 100.62 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 40.5 t -88.41 135.15 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.49 110.18 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 36' ' ' ARG . 15.7 mt -81.01 -53.52 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.942 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.9 t -148.27 176.2 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -47.69 -43.84 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.721 ' H ' HG23 ' A' ' 31' ' ' THR . 62.9 m-20 -114.28 41.62 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.942 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.47 141.07 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.456 HG12 HG23 ' A' ' 37' ' ' VAL . 6.9 t -153.54 119.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.8 tpt180 -94.27 94.69 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.82 HG21 ' CD2' ' A' ' 93' ' ' PHE . 92.9 t -85.75 105.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -113.12 154.58 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.688 ' CE3' HG21 ' A' ' 95' ' ' VAL . 49.6 p90 -148.95 -175.11 4.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.5 156.58 41.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.4 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 74' ' ' ASP . 1.6 tp -136.27 147.52 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.458 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.2 m-85 -112.41 125.43 54.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.3 m -106.37 148.73 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.7 117.26 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 1.0 OUTLIER -114.94 144.35 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.443 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p90 -153.37 156.74 38.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.597 ' HG2' ' CE1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -172.27 152.02 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.503 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 3.3 p -34.6 135.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.811 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.941 0.401 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 44.5 tttt -75.99 165.24 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.921 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -159.53 138.67 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -137.8 148.74 45.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.749 ' HB3' HD11 ' A' ' 55' ' ' LEU . 78.3 m-20 -106.39 126.72 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.98 145.96 44.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -97.3 13.95 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 m -120.28 166.87 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -90.34 30.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -164.81 129.92 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -123.02 143.91 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -108.5 104.69 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.795 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -77.61 98.63 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.1 p -98.81 141.78 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.07 49.05 4.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.795 HD21 ' HB1' ' A' ' 82' ' ' ALA . 3.7 mt -106.95 179.11 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -93.59 136.0 24.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.569 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.7 Cg_endo -69.77 153.6 68.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 2.7 p-10 47.31 34.86 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 m -138.81 124.72 19.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 91' ' ' TYR . 41.2 ttp -100.05 153.0 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.44 ' N ' ' HG2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.13 -178.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 1.9 tt0 -103.29 125.43 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.82 ' CD2' HG21 ' A' ' 37' ' ' VAL . 59.5 m-85 -115.39 141.14 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.94 158.28 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.688 HG21 ' CE3' ' A' ' 39' ' ' TRP . 23.5 t -128.53 155.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.492 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 11.7 ptm -149.13 -177.33 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.409 HG13 ' CE ' ' A' ' 19' ' ' MET . 10.6 p -136.12 145.68 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 102' ' ' ARG . 77.4 m -130.26 115.15 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 12.9 ttpt -126.38 164.84 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 43.97 32.97 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.4 ttt180 62.84 42.7 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 98' ' ' THR . 4.9 ptm180 -147.64 152.81 38.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 p -103.13 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.531 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 80.5 p -93.2 -82.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 21' ' ' PRO . 7.1 t -176.72 170.91 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.492 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 60.9 m95 -94.02 147.13 23.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.2 p -91.01 -175.87 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 20.9 ptm -44.66 135.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.424 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 6.9 m -79.9 141.96 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.98 123.21 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -94.04 132.81 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -156.79 112.52 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.1 m -84.07 146.17 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -87.45 151.08 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -64.89 131.5 46.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.82 126.72 16.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.611 ' HE3' HG13 ' A' ' 97' ' ' VAL . 84.3 mmm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -137.98 105.19 8.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.16 15.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 177.49 5.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG23 ' H ' ' A' ' 24' ' ' GLY . 2.0 m -134.99 -54.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.505 ' H ' HG23 ' A' ' 23' ' ' VAL . . . -75.05 45.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 58.6 t -63.4 92.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -103.31 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.92 101.35 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . 61.9 t -91.54 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.21 111.21 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.571 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.9 mt -76.03 -55.8 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 1.04 HG22 ' HB3' ' A' ' 34' ' ' ALA . 5.2 t -147.37 177.05 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -44.5 -45.08 9.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.609 ' H ' HG23 ' A' ' 31' ' ' THR . 19.7 m-20 -115.3 44.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.04 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -157.03 132.81 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.88 114.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HB2' HD21 ' A' ' 30' ' ' LEU . 14.7 tpp85 -88.92 102.39 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 93' ' ' PHE . 48.4 t -88.99 113.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.4 p -120.73 132.03 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.686 ' CE2' HG11 ' A' ' 95' ' ' VAL . 39.3 p90 -126.9 173.03 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.79 136.3 54.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.9 tp -148.3 144.64 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.407 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 12.7 m-85 -117.32 133.69 55.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.4 m -109.22 145.15 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.4 t -126.6 123.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 37.6 ptt85 -126.64 144.56 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.579 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 38.8 p90 -150.9 131.23 13.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.572 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -133.42 144.26 49.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 p -44.09 130.33 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.883 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 7.2 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 11.7 tttp -96.42 157.31 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -157.29 139.87 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.86 170.4 15.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.662 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -120.49 125.43 47.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 138.57 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 p -93.61 30.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.5 m -140.4 161.88 36.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.68 34.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.8 p -163.49 137.44 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -137.22 143.07 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' CD1' ' A' ' 30' ' ' LEU . 7.4 m -104.29 114.99 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' ALA . . . -92.46 92.79 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -95.52 150.23 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.48 50.87 5.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mt -111.54 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.577 ' HD2' HG21 ' A' ' 89' ' ' THR . 1.9 ttmp? -82.04 131.49 56.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.453 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.7 154.41 67.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 20.1 p30 48.76 31.11 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.577 HG21 ' HD2' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -133.13 138.14 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.441 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 55.8 ttp -111.77 151.61 28.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -141.93 176.13 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.659 ' HB2' HG21 ' A' ' 109' ' ' THR . 3.6 pt-20 -101.76 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.9 m-85 -114.39 134.35 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -127.46 177.78 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.686 HG11 ' CE2' ' A' ' 39' ' ' TRP . 92.7 t -151.26 145.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -148.72 -179.97 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.611 HG13 ' HE3' ' A' ' 19' ' ' MET . 7.1 p -141.22 145.98 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.7 m -125.4 102.22 7.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 18.8 ttpt -125.34 152.03 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.455 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 15.2 m120 61.85 55.02 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.455 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER 39.86 38.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -155.56 141.0 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -96.28 153.96 17.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p -106.21 -174.91 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.0 t -82.86 158.94 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.401 ' CH2' ' HD3' ' A' ' 59' ' ' ARG . 74.8 m95 -80.7 155.21 26.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.9 t -99.37 174.69 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ptm -45.94 127.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.659 HG21 ' HB2' ' A' ' 92' ' ' GLU . 20.6 m -75.78 146.45 39.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -111.44 159.72 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -119.48 150.08 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.435 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -167.33 121.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 m -94.42 136.33 34.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -79.81 158.21 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -67.96 153.93 42.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.0 112.2 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -109.62 176.27 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -84.27 47.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.24 138.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -166.87 131.93 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t 49.47 45.57 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.95 75.25 0.28 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -149.72 132.58 8.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.731 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.72 28.61 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.0 m -97.37 -62.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 t -137.71 134.6 35.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.94 115.16 2.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 161.04 47.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 59.36 52.62 5.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 mt -51.52 116.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -102.93 61.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 p -117.87 148.94 44.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 4.45 2.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.6 mmm -130.06 169.57 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -141.11 105.37 6.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.8 169.79 18.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.266 . . . . 0.0 112.311 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.06 2.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.32 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 m -144.94 -178.48 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 44.58 39.19 5.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.26 114.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.096 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -113.58 146.3 39.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.29 101.48 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.2 t -94.5 136.28 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.57 114.74 27.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 36' ' ' ARG . 5.5 mt -81.99 -53.47 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.917 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.7 t -144.99 176.31 9.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -46.64 -41.72 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.774 ' H ' HG23 ' A' ' 31' ' ' THR . 87.8 m-20 -117.77 40.71 3.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.917 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.55 131.28 12.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -143.56 113.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.539 ' HB2' HD21 ' A' ' 30' ' ' LEU . 8.4 tpp85 -86.76 107.64 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.734 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.6 t -94.61 105.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 p -111.73 142.01 44.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CE3' HG21 ' A' ' 95' ' ' VAL . 47.7 p90 -142.32 -178.7 5.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.92 159.62 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -102.95 123.4 46.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.91 -55.37 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t -41.56 -37.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 HE21 ' A' ' 48' ' ' GLN . 48.6 t -104.13 110.71 64.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.594 0.711 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.66 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.355 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.28 -59.44 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -121.59 126.87 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.402 HE21 HG13 ' A' ' 44' ' ' VAL . 1.5 tm0? -172.51 137.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -132.28 109.88 10.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.8 t -116.49 152.81 33.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 t -96.62 28.86 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.21 149.96 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.646 HG22 ' H ' ' A' ' 54' ' ' ARG . 7.2 p -88.82 171.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.646 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -173.94 143.49 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.4 tp -133.77 134.09 42.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -100.8 125.29 47.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.0 m -107.65 149.31 28.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.0 t -128.82 127.03 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HD3' ' CD1' ' A' ' 70' ' ' TYR . 7.3 ptp180 -126.13 147.84 49.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.487 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 46.5 p90 -157.82 145.2 18.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -149.55 154.98 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.57 119.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -74.61 118.92 18.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 72.03 49.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 t -129.82 123.9 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.26 -69.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 t -87.77 74.67 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.71 149.24 28.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -121.77 135.25 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.543 ' CZ ' ' HG2' ' A' ' 61' ' ' ARG . 6.3 m-85 -86.17 119.15 26.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 10.2 tttp -88.43 167.58 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.5 p -156.79 127.89 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -132.32 152.17 51.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.648 ' HB2' HD11 ' A' ' 55' ' ' LEU . 6.9 p-10 -105.8 127.23 52.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 75' ' ' THR . 13.3 t -146.33 127.37 14.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.4 p -85.63 24.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.4 m -126.74 170.77 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 38.7 mt -95.9 23.92 5.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.5 p -156.88 129.9 7.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -128.44 144.67 51.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.435 HG23 HD11 ' A' ' 30' ' ' LEU . 3.8 m -105.16 111.14 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -81.91 101.58 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.3 p -103.7 155.41 18.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.87 50.99 8.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.605 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -110.23 -175.49 2.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -100.52 134.67 20.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 54.3 Cg_endo -69.75 148.86 66.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 56.09 27.37 11.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 m -132.31 137.07 47.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.0 ttp -109.28 152.2 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.11 173.32 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.4 tt0 -101.93 125.39 48.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.734 ' CD2' HG21 ' A' ' 37' ' ' VAL . 12.8 m-85 -111.61 147.93 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.15 149.27 26.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG21 ' CE3' ' A' ' 39' ' ' TRP . 47.4 t -121.25 152.06 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 18.1 ptm -149.24 -175.05 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 9.0 p -146.01 150.13 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 102' ' ' ARG . 47.4 m -128.22 94.71 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 36.9 ttmt -120.93 152.39 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.8 t30 71.3 32.29 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 62.25 25.65 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 98' ' ' THR . 10.3 ptm180 -144.33 156.86 44.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -105.85 145.12 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.5 p -101.87 -175.62 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.5 t -81.33 159.68 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.1 m95 -80.38 154.74 27.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.5 t -90.52 177.21 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.6 ptm -44.26 141.35 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 3.2 m -82.68 153.57 25.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.98 127.84 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -93.94 144.14 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -168.64 109.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.4 m -83.88 152.44 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -90.91 156.8 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -73.36 148.05 43.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -61.63 121.96 14.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.415 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . -56.58 172.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t 58.85 39.36 24.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 116.63 116.01 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.8 18.23 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -44.77 136.9 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.8 p -126.14 170.12 12.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 p -122.3 -53.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 p -113.65 -0.27 14.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.41 162.86 33.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -98.11 169.62 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -111.96 172.0 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.4 -36.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.574 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 72.0 t80 50.52 46.3 3.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 8' ' ' PHE . 54.0 Cg_endo -69.75 -3.25 11.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -87.88 152.93 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -66.36 161.14 23.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -51.34 145.89 13.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 148.68 65.81 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.28 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.93 176.39 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.9 mt -108.39 167.86 9.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m 43.38 39.17 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 p -97.94 151.18 37.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.606 0.717 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.7 Cg_endo -69.76 -176.3 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.508 ' HE3' HG13 ' A' ' 97' ' ' VAL . 72.1 mmm -35.67 139.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.832 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -101.07 118.81 59.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.638 0.733 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' HD22 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.77 165.91 29.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.746 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.1 Cg_endo -69.73 177.98 5.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.1 -175.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 30.92 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.726 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 77.7 t -59.3 105.13 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.105 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -112.44 159.1 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -128.84 99.76 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' ARG . 10.7 t -87.59 134.21 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.1 112.03 24.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.562 ' CD1' HG23 ' A' ' 81' ' ' THR . 12.5 mt -82.64 -56.46 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.867 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -148.94 176.53 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -42.57 -53.94 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.514 ' H ' HG23 ' A' ' 31' ' ' THR . 66.6 m-20 -108.17 43.86 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.867 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -155.79 133.19 10.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -146.73 116.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.6 tpp180 -89.14 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 93' ' ' PHE . 47.9 t -93.97 112.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.7 p -122.11 134.84 54.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.79 ' CE2' HG11 ' A' ' 95' ' ' VAL . 27.0 p90 -127.29 179.25 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.12 161.92 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -118.45 105.46 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -92.84 -1.71 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.6 m -90.69 23.67 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -132.35 100.74 15.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.625 0.726 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -68.08 -66.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.87 114.09 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -155.13 112.39 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -132.98 50.07 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.9 p -114.28 155.05 26.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 m -100.82 77.39 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -115.92 119.66 36.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' C ' ' HD2' ' A' ' 54' ' ' ARG . 87.5 t -101.97 152.12 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -163.66 147.07 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.1 tp -101.93 149.07 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.471 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.0 m-85 -114.74 137.29 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 m -116.53 151.64 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.12 117.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.639 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 6.3 ptm180 -111.9 148.64 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.456 ' CZ2' ' CD ' ' A' ' 71' ' ' LYS . 48.4 p90 -153.89 126.84 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.668 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 7.0 tmm_? -133.86 139.6 46.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.429 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 3.1 p -43.16 132.71 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -87.36 139.05 30.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 62.31 27.94 16.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.8 p -93.84 -175.96 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -144.03 131.75 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.4 m 58.9 43.17 18.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.668 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -106.64 161.06 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -110.56 153.21 25.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.639 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 10.4 m-85 -92.51 143.26 26.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' CD ' ' CZ2' ' A' ' 60' ' ' TRP . 13.4 ttmt -107.49 168.87 8.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -160.87 152.52 19.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -151.41 147.16 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.857 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.1 p-10 -101.45 124.4 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t -137.56 135.6 36.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.4 p -89.0 36.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -146.44 164.86 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 60.9 mt -87.51 32.18 0.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 p -162.64 144.04 10.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -144.05 144.31 31.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.562 HG23 ' CD1' ' A' ' 30' ' ' LEU . 4.2 m -104.47 113.03 26.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.665 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -86.52 97.72 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -97.44 158.98 15.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.37 54.29 11.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.1 mt -112.92 -174.89 2.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -97.68 132.45 25.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.79 155.89 64.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.6 p30 47.62 36.49 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m -140.59 141.25 35.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.533 ' HB2' HG23 ' A' ' 113' ' ' THR . 48.7 ttp -115.48 149.76 37.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -137.06 179.86 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.875 ' HB2' HG21 ' A' ' 109' ' ' THR . 2.6 pt-20 -107.08 125.56 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 109' ' ' THR . 10.0 m-85 -112.87 159.19 19.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -153.36 175.73 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 39' ' ' TRP . 64.1 t -147.27 137.95 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 23.5 ptm -140.09 -174.99 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.508 HG13 ' HE3' ' A' ' 19' ' ' MET . 13.2 p -148.43 144.14 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -119.74 96.11 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -125.14 148.43 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 21.4 t30 70.76 47.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 4.4 ptm180 48.46 31.17 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -148.11 149.56 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -95.97 151.16 19.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 105' ' ' THR . 28.3 t -100.64 -179.51 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.401 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.3 t -89.85 163.02 15.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.104 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.61 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 54.4 m95 -85.91 134.25 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' MET . 17.4 t -82.2 170.36 15.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' SER . 5.6 ptm -35.79 129.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.875 HG21 ' HB2' ' A' ' 92' ' ' GLU . 6.4 m -81.13 137.84 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -102.19 148.7 25.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -106.4 153.78 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -174.6 112.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.533 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.2 m -84.75 151.32 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.9 p -94.41 154.34 17.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.49 144.59 41.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -58.02 134.5 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.46 49.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.9 t -133.44 92.88 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.33 119.07 8.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.534 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 176.57 6.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.4 p -67.17 92.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 45.1 m -47.09 100.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -166.34 173.14 10.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 p -87.51 168.08 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.16 -152.91 27.78 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -173.8 124.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -109.72 170.95 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.0 -135.44 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.519 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 15.3 t80 -171.36 139.53 1.19 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 8' ' ' PHE . 53.4 Cg_endo -69.76 123.77 10.42 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 90.7 m -122.87 111.19 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -95.72 142.83 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.07 137.28 22.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.573 0.701 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 88.33 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -74.99 168.61 19.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.32 160.82 6.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 m -107.75 113.24 26.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -129.58 151.14 77.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.95 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.584 ' HE3' HG13 ' A' ' 97' ' ' VAL . 76.4 mmm -88.66 155.46 19.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.44 105.07 49.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 105' ' ' THR . 53.5 Cg_endo -69.76 170.09 17.39 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.73 177.85 5.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -145.62 -178.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.64 42.19 13.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.05 117.77 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.53 125.62 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.28 98.56 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.96 137.3 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.44 109.62 21.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.3 mt -79.19 -54.89 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.968 HG22 ' HB3' ' A' ' 34' ' ' ALA . 3.3 t -149.18 176.56 10.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -47.38 -42.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.706 ' H ' HG23 ' A' ' 31' ' ' THR . 5.3 p-10 -115.5 45.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.968 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -158.85 138.9 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.0 t -152.94 114.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.7 tpt180 -93.28 97.17 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.726 HG21 ' CD2' ' A' ' 93' ' ' PHE . 59.1 t -84.18 109.91 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 p -111.2 138.9 47.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.601 ' CE2' HG11 ' A' ' 95' ' ' VAL . 45.0 p90 -136.77 173.44 11.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.24 167.81 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -132.5 121.17 22.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -117.04 38.43 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.5 p -117.47 28.04 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 44' ' ' VAL . 3.1 p -141.71 106.13 5.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' ASN . 53.7 Cg_endo -69.79 -162.9 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.327 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' ASN . 27.1 tttp -30.89 92.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 45' ' ' PRO . 17.8 t-20 28.05 46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' CB ' ' HG2' ' A' ' 45' ' ' PRO . 14.3 tp60 -96.11 76.62 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -55.71 168.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 50' ' ' THR . 8.5 t -107.47 123.43 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.3 p -62.03 -45.13 94.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.48 129.83 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -63.38 123.74 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 171.25 7.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -150.82 144.23 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.905 ' N ' HD22 ' A' ' 55' ' ' LEU . 6.9 m-85 -116.6 122.68 45.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 58' ' ' VAL . 25.3 m -101.77 155.96 17.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.423 ' N ' HG22 ' A' ' 57' ' ' THR . 45.2 t -139.93 123.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -115.25 157.99 22.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.541 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 41.0 p90 -167.5 144.98 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HG2' ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -162.33 154.72 19.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 p -40.64 126.23 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m -85.4 126.22 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 66.33 44.05 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -128.37 157.65 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -92.69 164.9 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 66' ' ' ALA . 1.8 t 34.23 50.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.19 128.91 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -88.0 136.01 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 6.4 m-85 -87.09 106.89 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 43.6 tttt -77.61 161.23 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 m -161.48 142.54 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -138.4 147.69 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.81 118.05 35.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -134.7 134.47 41.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.1 p -89.74 31.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 p -128.28 171.92 11.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -95.12 22.67 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.475 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 82.4 p -161.34 142.13 11.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -132.56 140.48 48.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -104.82 107.84 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -85.75 99.16 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.9 p -100.38 155.44 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.09 52.83 8.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.651 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -110.46 -178.78 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.466 ' HD2' HG21 ' A' ' 89' ' ' THR . 2.3 ttmp? -87.2 128.93 53.63 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.693 . . . . 0.0 110.9 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.73 46.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.401 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 2.2 t-20 60.44 35.07 20.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.466 HG21 ' HD2' ' A' ' 86' ' ' LYS . 1.9 m -139.4 134.27 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.419 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 24.3 ttp -104.23 151.08 23.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -137.76 179.16 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.493 ' HG3' HG23 ' A' ' 109' ' ' THR . 0.9 OUTLIER -100.91 125.3 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.726 ' CD2' HG21 ' A' ' 37' ' ' VAL . 46.6 m-85 -116.48 144.76 43.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.6 p -153.77 170.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' A' ' 39' ' ' TRP . 43.3 t -142.55 150.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -146.16 -176.03 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.584 HG13 ' HE3' ' A' ' 19' ' ' MET . 9.3 p -142.99 140.75 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.4 m -119.05 94.91 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -126.04 142.99 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 3.8 t-20 74.96 47.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 3.8 ptm180 46.68 36.02 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -151.99 144.82 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.3 p -95.47 141.72 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 105' ' ' THR . 12.2 t -95.37 -179.0 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.466 ' N ' ' OG ' ' A' ' 104' ' ' SER . 8.2 t -87.67 152.35 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -72.16 146.6 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -84.35 -174.85 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 19.1 ptm -47.5 140.05 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.493 HG23 ' HG3' ' A' ' 92' ' ' GLU . 51.9 m -82.84 136.24 34.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.01 123.33 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -92.87 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.412 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -163.86 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -81.05 142.01 33.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.2 p -81.28 158.53 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.7 153.64 38.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 13.2 tt0 -70.41 116.77 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.06 175.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.1 t -96.69 154.86 17.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.97 -147.7 5.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.1 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.9 t -111.21 43.28 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -65.49 156.32 32.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 p -103.92 163.14 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -72.3 -52.79 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.81 140.84 2.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -157.81 157.75 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 m -118.87 119.68 35.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' PHE . . . -75.56 93.42 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.8 p90 -34.52 145.78 0.17 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 114.47 3.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.4 m -104.38 -51.21 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 m -72.83 176.3 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -82.89 134.8 46.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.74 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 114.91 3.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -143.2 166.01 25.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.89 178.34 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.1 t 61.0 40.03 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -124.0 147.31 53.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.54 0.686 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.4 0.47 Allowed 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.522 ' HE2' HG13 ' A' ' 97' ' ' VAL . 14.3 mtp -48.37 169.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.94 114.77 11.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.594 0.711 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 160.78 48.43 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.391 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.73 169.87 17.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -131.69 179.64 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.36 45.99 16.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -70.5 118.62 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.921 ' NE2' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -121.96 137.93 54.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.78 101.11 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.921 HG23 ' NE2' ' A' ' 26' ' ' GLN . 99.2 t -92.43 141.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.9 115.3 30.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.54 ' CD1' HG23 ' A' ' 81' ' ' THR . 14.4 mt -81.85 -53.47 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.916 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -146.61 176.1 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 37.1 p-80 -44.94 -45.63 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.702 ' H ' HG23 ' A' ' 31' ' ' THR . 19.8 p-10 -115.23 41.24 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.916 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.32 130.76 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 3.0 t -142.11 119.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' VAL . 13.5 tpp180 -93.82 105.78 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.818 HG21 ' CD2' ' A' ' 93' ' ' PHE . 44.7 t -100.81 112.94 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -125.59 132.98 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.734 ' CE2' HG11 ' A' ' 95' ' ' VAL . 14.1 p90 -120.86 -174.77 2.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.98 146.81 46.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -102.37 114.58 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -113.27 26.06 10.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.3 m -112.66 37.85 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.6 t -122.23 83.78 45.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.24 57.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 162.16 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 50.11 38.58 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -60.29 128.47 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -63.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 p -63.97 106.09 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 m -108.11 75.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -93.89 113.17 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.8 t -44.56 132.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -122.59 144.87 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 74' ' ' ASP . 4.3 tp -104.64 143.15 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -118.2 131.79 56.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -111.05 153.06 26.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.171 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.9 t -132.44 114.41 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CD2' ' A' ' 70' ' ' TYR . 7.7 ptm180 -109.54 150.51 28.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.497 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 43.2 p90 -159.57 145.32 15.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -157.8 147.3 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.457 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 2.9 p -33.85 127.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 p -78.43 118.69 20.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 64.83 54.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -118.7 122.37 42.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -40.65 -72.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.4 m -110.44 120.7 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.805 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.17 151.6 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -100.76 142.72 31.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' ' NH2' ' A' ' 59' ' ' ARG . 5.7 m-85 -84.81 110.52 18.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 39.1 tttt -77.04 166.39 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.04 142.51 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -145.55 132.61 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.553 ' HB3' HD11 ' A' ' 55' ' ' LEU . 79.3 m-20 -87.85 139.63 30.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.4 t -151.3 140.12 20.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.4 p -92.81 31.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 167.92 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.0 mt -93.44 25.64 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -153.92 133.03 12.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -131.93 150.22 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.54 HG23 ' CD1' ' A' ' 30' ' ' LEU . 11.7 m -115.77 97.74 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.612 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -73.17 105.05 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 p -105.35 159.02 16.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.92 48.57 20.39 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD21 ' HB1' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -107.06 -175.07 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 22.5 ttmt -96.82 133.92 23.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 150.53 67.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.74 27.1 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.8 m -133.22 132.04 41.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.456 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 14.3 tmm? -104.62 152.42 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -136.83 -174.14 3.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.955 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 92.1 mt-10 -100.07 144.75 28.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.818 ' CD2' HG21 ' A' ' 37' ' ' VAL . 72.9 m-85 -134.02 135.86 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -143.94 -177.83 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.734 HG11 ' CE2' ' A' ' 39' ' ' TRP . 58.6 t -154.97 144.87 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -147.11 172.68 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.522 HG13 ' HE2' ' A' ' 19' ' ' MET . 4.1 p -137.85 141.56 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.8 m -119.45 95.87 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 19.9 ttpt -126.0 144.52 50.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.491 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 6.2 t-20 74.29 47.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 21.7 ptt180 47.84 30.99 2.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 7.0 ptp180 -148.65 146.09 28.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 p -103.91 141.89 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -93.85 -174.95 3.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.9 t -88.68 158.51 18.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.576 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 55.4 m95 -80.66 138.84 36.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' MET . 41.2 t -77.71 170.01 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' SER . 3.3 ptm -34.74 151.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.3 m -96.23 135.48 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.59 127.28 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.456 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 5.6 m-70 -93.2 135.99 33.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.89 119.01 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -87.47 154.32 20.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 p -94.9 160.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -71.31 155.38 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.58 117.8 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.85 -42.39 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 t -126.02 82.44 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -176.2 83.71 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 121' ' ' SER . 54.3 Cg_endo -69.77 -5.24 15.73 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 120' ' ' PRO . 90.3 p -36.14 -54.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.6 t -95.88 130.48 42.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -109.62 111.03 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -152.13 124.21 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.35 -138.96 12.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -148.36 162.81 38.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -40.31 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.67 -140.23 2.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -53.77 113.38 4.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 175.59 7.94 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.6 p -137.34 155.7 49.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -150.72 145.4 25.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -38.76 150.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 165.99 29.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.373 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.14 163.17 12.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.2 mt 40.05 42.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.8 p -65.35 174.2 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 p -146.23 149.12 37.18 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.547 0.689 . . . . 0.0 111.169 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 4.53 2.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.46 ' HE3' HG13 ' A' ' 97' ' ' VAL . 81.6 mmm -129.95 160.06 34.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.24 115.42 13.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 169.41 18.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.97 8.73 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.04 -178.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.72 41.84 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG21 ' OG ' ' A' ' 107' ' ' SER . 5.2 t -72.86 125.02 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -133.32 132.66 41.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 112' ' ' ALA . . . -103.15 104.5 14.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.045 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 3.3 t -91.31 130.02 41.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.57 109.57 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 36' ' ' ARG . 15.2 mt -81.07 -53.29 6.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.972 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.4 t -148.34 176.02 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -46.07 -46.78 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.682 ' H ' HG23 ' A' ' 31' ' ' THR . 16.0 p30 -113.91 41.95 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.972 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.37 134.9 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG12 HG23 ' A' ' 37' ' ' VAL . 10.9 t -148.03 118.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.652 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.8 tpt180 -93.21 96.06 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.609 HG21 ' CD2' ' A' ' 93' ' ' PHE . 57.8 t -88.1 111.25 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.68 152.56 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.444 ' CE2' HG11 ' A' ' 95' ' ' VAL . 33.4 p90 -143.79 -179.52 6.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.18 157.99 20.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -113.18 105.81 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -108.15 -24.72 11.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 p -85.36 43.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.41 127.34 21.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 129.68 18.04 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.58 158.67 33.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.1 38.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -78.24 145.12 35.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -118.39 -58.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.92 113.41 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.9 p -148.85 145.15 27.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.1 143.94 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 t -58.01 144.12 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.84 149.36 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.3 tp -129.06 144.3 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.51 139.15 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 58' ' ' VAL . 8.2 m -121.29 157.52 30.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.406 ' N ' HG22 ' A' ' 57' ' ' THR . 11.0 t -136.53 123.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 70' ' ' TYR . 6.9 ptm180 -114.56 149.78 35.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 33.7 p90 -168.27 142.13 3.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' NE ' ' CE2' ' A' ' 70' ' ' TYR . 7.0 ptt85 -159.58 157.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.439 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 7.1 p -36.56 134.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.6 p -77.75 139.6 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 41.66 46.9 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.01 142.47 29.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.16 -64.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -122.9 121.0 35.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.35 141.37 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -95.92 121.62 37.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 59' ' ' ARG . 4.0 m-85 -57.55 135.48 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 28.2 tttt -89.57 165.67 14.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 p -157.63 126.42 5.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 7.4 tm-20 -130.34 130.88 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -87.88 123.36 32.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -143.28 143.31 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.6 p -101.16 23.52 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -121.03 163.88 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 17.0 mt -89.32 10.47 22.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 p -148.27 133.86 18.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.5 ' CE1' ' HG3' ' A' ' 73' ' ' GLU . 81.0 t80 -128.7 149.2 50.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.501 HG23 ' CD1' ' A' ' 30' ' ' LEU . 5.8 m -115.39 101.87 9.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.796 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -76.14 100.43 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -96.94 150.01 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.88 52.97 6.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.796 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.7 mt -107.4 -174.88 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.356 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 21.6 tttp -92.65 130.41 37.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.917 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.51 38.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 59.32 35.96 23.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -139.48 124.1 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -95.61 150.88 19.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.45 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -136.9 174.76 10.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 109' ' ' THR . 1.1 tt0 -103.1 125.05 49.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.609 ' CD2' HG21 ' A' ' 37' ' ' VAL . 44.5 m-85 -114.74 146.47 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -153.52 145.18 23.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 39' ' ' TRP . 11.3 t -114.58 155.27 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -151.29 -175.02 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG13 ' HE3' ' A' ' 19' ' ' MET . 3.7 p -143.3 143.13 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 102' ' ' ARG . 51.6 m -124.58 95.54 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -123.94 160.98 26.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 64.99 31.91 10.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 62.81 25.6 15.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 2.6 ptm85 -143.79 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.8 p -106.62 144.31 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.6 p -101.78 -178.88 3.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 t -76.92 169.81 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.583 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 84.4 m95 -88.62 161.24 17.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.477 ' OG ' HG21 ' A' ' 25' ' ' VAL . 90.2 p -98.67 179.87 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.8 ptm -47.23 129.52 12.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 110' ' ' ALA . 49.2 m -71.22 157.58 37.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 109' ' ' THR . . . -130.04 116.42 18.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -87.99 133.63 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . . . -153.23 111.98 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.3 m -83.23 151.23 25.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.8 p -92.89 161.04 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -77.61 146.51 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.61 110.5 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.64 -50.06 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -55.96 -49.68 72.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 120' ' ' PRO . . . -149.69 100.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 119' ' ' GLY . 53.6 Cg_endo -69.78 168.14 22.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m -72.59 105.04 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.6 t -110.17 105.09 14.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.472 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.5 t -92.29 54.0 2.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.882 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.2 t 36.5 43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.29 44.75 1.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -126.96 42.33 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.393 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -170.6 174.94 4.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.64 -170.03 1.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -155.39 105.86 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 54.1 Cg_endo -69.71 90.66 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.725 2.283 . . . . 0.0 112.386 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.6 m -80.94 -48.14 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -83.33 82.19 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.5 m -128.36 118.7 20.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.588 0.709 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.65 2.87 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 1.2 p-10 -132.68 44.45 2.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -91.82 178.74 5.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.8 p -47.51 174.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -122.13 145.07 43.03 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.8 Cg_endo -69.8 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' HG13 ' A' ' 97' ' ' VAL . 28.2 mmm -37.52 154.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.3 OUTLIER -104.81 105.51 51.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.674 0.749 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.86 169.93 17.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.73 2.47 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.6 -176.05 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.76 37.87 7.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 21.9 t -69.6 110.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 111.082 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -116.89 138.99 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.02 101.06 9.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -90.31 132.82 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.15 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.55 -54.38 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.946 HG22 ' HB3' ' A' ' 34' ' ' ALA . 2.9 t -147.06 176.44 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -50.06 -36.64 29.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.851 ' H ' HG23 ' A' ' 31' ' ' THR . 82.9 m-20 -120.51 42.43 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.946 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -157.02 139.98 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 t -153.36 119.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -93.8 104.52 16.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.765 HG21 ' CD2' ' A' ' 93' ' ' PHE . 31.5 t -98.62 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.9 m -118.86 132.05 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.642 ' CD2' HG21 ' A' ' 95' ' ' VAL . 21.4 p90 -121.56 -175.72 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.47 147.95 46.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -94.99 125.68 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -123.89 -17.54 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.509 ' HB3' HD12 ' A' ' 20' ' ' LEU . 78.8 p -84.9 37.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.9 p -173.62 124.84 0.43 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.628 0.727 . . . . 0.0 111.169 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -86.21 -39.42 16.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -76.68 46.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 3.0 tt0 -177.07 150.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 48' ' ' GLN . 11.4 mptt -106.24 173.89 6.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.64 115.99 28.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.4 t -89.84 -62.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' CB ' ' HD2' ' A' ' 99' ' ' LYS . 1.1 mp0 -64.28 121.49 14.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.75 133.13 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.53 168.09 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.842 HD11 ' HB2' ' A' ' 74' ' ' ASP . 5.0 tp -148.83 149.99 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.431 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -120.66 118.41 30.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.4 m -99.94 149.66 23.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.78 126.04 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -121.1 152.63 38.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 46.1 p90 -165.43 132.27 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.831 ' NE ' ' HB1' ' A' ' 68' ' ' ALA . 11.0 tpt180 -165.02 158.06 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.487 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 13.5 p -31.43 135.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -85.21 139.06 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 62.92 25.9 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -115.18 81.33 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -38.28 -70.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 m -73.23 101.13 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.831 ' HB1' ' NE ' ' A' ' 61' ' ' ARG . . . -174.43 125.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -68.32 112.82 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.604 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 4.1 m-85 -82.28 140.35 33.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -86.41 165.66 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.7 p -160.68 123.11 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.6 145.93 49.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.842 ' HB2' HD11 ' A' ' 55' ' ' LEU . 4.1 p30 -102.13 116.36 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 t -137.6 149.83 46.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.5 p -102.55 6.57 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -104.63 166.02 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.0 mt -96.32 29.2 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.1 p -157.93 129.84 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -136.98 140.5 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.5 m -104.46 119.88 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.647 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -92.52 97.27 10.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.1 p -97.62 156.12 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.97 52.03 9.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.647 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.5 mt -109.75 -176.22 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.5 ttpt -97.28 130.76 28.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.423 ' HB3' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.77 144.52 54.24 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 61.6 25.62 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.2 m -131.72 128.38 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.416 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 36.1 ttp -100.48 152.43 20.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -137.06 174.74 10.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -101.19 125.4 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.765 ' CD2' HG21 ' A' ' 37' ' ' VAL . 56.8 m-85 -112.23 137.78 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.97 146.93 24.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.642 HG21 ' CD2' ' A' ' 39' ' ' TRP . 47.1 t -117.4 145.24 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -140.81 168.7 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.565 HG13 ' HE2' ' A' ' 19' ' ' MET . 5.5 p -128.86 140.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -124.23 96.33 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' HD2' ' CB ' ' A' ' 52' ' ' GLU . 20.3 ttpp -125.76 161.79 26.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 m120 64.03 31.81 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 62.4 32.08 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -150.78 151.74 32.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.6 p -101.28 143.37 31.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 59.5 p -97.41 -174.72 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 t -84.72 159.25 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -81.6 139.0 35.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.0 t -79.54 176.97 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 16.8 ptm -41.81 146.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.4 m -97.48 147.72 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -116.34 122.74 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -89.44 135.42 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -159.18 107.95 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.4 m -79.61 144.32 33.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 50.3 p -82.51 146.85 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -63.47 151.93 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -67.24 115.57 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . -47.34 -49.94 23.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.4 p -71.72 122.19 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -158.68 147.37 14.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.45 17.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.5 m -84.0 44.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.8 m -45.28 139.8 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.8 t -86.29 -19.86 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.918 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' SER . 15.3 m 37.3 51.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.47 82.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -150.24 135.85 18.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -91.08 161.44 15.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.75 76.16 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -173.31 146.22 1.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.5 p -69.94 88.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -167.26 166.08 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG22 ' H ' ' A' ' 14' ' ' ASP . 10.3 p -88.75 121.41 69.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 4.92 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 12' ' ' VAL . 44.5 m-20 50.36 32.78 6.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 17' ' ' THR . 30.3 mt -60.84 -45.29 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t 45.93 47.76 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 15' ' ' LEU . 82.2 p -116.75 145.27 35.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.136 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.59 2.08 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 82.3 mmm -126.77 166.55 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -133.99 115.07 13.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.58 0.705 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.368 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.629 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 -178.87 2.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.9 m -144.64 -177.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.79 44.41 17.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.678 HG21 ' OG ' ' A' ' 107' ' ' SER . 14.5 t -74.12 109.63 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -113.14 134.69 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.45 101.61 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' ARG . 20.7 t -90.09 134.63 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.72 108.89 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.6 mt -78.39 -53.99 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.901 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.72 176.14 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -44.79 -46.61 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.683 ' H ' HG23 ' A' ' 31' ' ' THR . 6.5 p30 -114.21 41.26 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.901 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.35 132.99 13.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.6 t -145.29 115.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.3 tpp180 -86.25 100.0 11.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.672 HG21 ' CD2' ' A' ' 93' ' ' PHE . 86.0 t -90.97 109.05 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.05 153.04 35.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.545 ' CE2' HG11 ' A' ' 95' ' ' VAL . 36.5 p90 -146.78 -177.69 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.96 170.67 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.0 p-10 -131.46 116.31 17.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -123.61 19.28 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.3 t -98.45 14.58 27.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -138.56 115.27 8.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.61 3.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -82.55 156.91 23.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 43.11 50.64 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -122.58 126.21 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -88.27 106.35 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.68 119.93 21.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -104.57 -43.15 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 2.8 mp0 -77.31 109.0 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.606 HG22 ' H ' ' A' ' 54' ' ' ARG . 2.3 p -51.19 172.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -161.15 153.55 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.3 tp -134.46 135.88 42.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.12 134.02 44.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 m -112.03 141.6 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.68 118.17 50.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.605 ' NH2' ' CD1' ' A' ' 106' ' ' TRP . 19.5 ptt180 -122.38 148.91 44.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.442 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.1 p90 -149.56 130.29 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.649 ' HE ' ' N ' ' A' ' 70' ' ' TYR . 5.8 tpp85 -130.62 143.56 50.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -47.95 135.08 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -89.97 119.8 30.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 68.5 49.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.21 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.01 -47.42 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.1 p -145.66 110.5 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.546 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . . . -150.27 177.64 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.34 138.62 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.649 ' N ' ' HE ' ' A' ' 61' ' ' ARG . 11.6 m-85 -74.49 117.75 16.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 34.2 tttt -78.63 154.53 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.7 p -147.42 132.24 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -142.16 139.79 32.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.582 ' HB2' HD11 ' A' ' 55' ' ' LEU . 2.0 p30 -88.89 134.32 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -149.96 128.72 12.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.8 p -93.59 36.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . 27.8 m -140.06 169.0 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HA ' ' CE2' ' A' ' 39' ' ' TRP . 22.5 mt -94.49 24.91 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 p -157.74 131.24 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -131.82 151.06 51.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.644 HG23 ' CD1' ' A' ' 30' ' ' LEU . 4.4 m -113.08 102.76 10.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.639 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -76.61 99.12 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 p -102.12 154.4 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.8 48.25 10.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.639 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.1 mt -108.85 -174.72 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 89' ' ' THR . 16.6 ttpp -97.37 134.12 23.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 156.48 63.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.4 p30 45.08 37.79 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.6 HG21 ' HE3' ' A' ' 86' ' ' LYS . 1.6 m -143.09 126.06 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.401 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 12.2 tmm? -101.93 152.58 20.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.4 OUTLIER -138.26 -179.89 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' HG2' HG23 ' A' ' 109' ' ' THR . 0.0 OUTLIER -100.77 125.98 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.672 ' CD2' HG21 ' A' ' 37' ' ' VAL . 57.2 m-85 -115.04 150.76 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -153.52 -178.53 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.629 HG12 ' HG3' ' A' ' 22' ' ' PRO . 64.9 t -152.43 145.44 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 103' ' ' SER . 5.5 ppp? -149.43 -176.2 5.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.84 144.27 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.3 m -115.49 97.97 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.57 154.09 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 49.5 m-20 63.54 40.55 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.7 OUTLIER 54.57 28.62 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.46 145.59 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.468 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 17.2 p -94.03 137.13 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 105' ' ' THR . 11.1 t -87.91 179.3 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.447 ' N ' ' OG ' ' A' ' 104' ' ' SER . 11.7 t -79.57 172.68 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.118 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.605 ' CD1' ' NH2' ' A' ' 59' ' ' ARG . 76.0 m95 -95.64 145.24 25.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.678 ' OG ' HG21 ' A' ' 25' ' ' VAL . 96.4 p -81.18 -176.53 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.5 ptm -51.17 145.04 8.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.452 HG23 ' HG2' ' A' ' 92' ' ' GLU . 23.6 m -82.3 137.48 34.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.38 122.82 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -92.15 141.35 28.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.67 114.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 m -86.05 148.6 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 19.8 p -87.47 164.63 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -72.61 149.3 44.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -71.01 108.49 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.91 7.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.6 m -102.25 86.14 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -176.13 74.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -12.24 32.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 t -121.76 120.73 35.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -123.16 43.35 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -129.51 160.22 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -117.57 137.26 52.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.88 46.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -142.19 166.13 25.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -65.05 153.44 40.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.97 -114.62 1.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.462 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.7 m-85 50.74 53.25 13.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' SER . 53.5 Cg_endo -69.81 -2.67 10.6 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.8 p -57.25 80.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' PRO . 6.3 m -146.91 140.47 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.14 113.87 43.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 110.85 2.65 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -154.58 137.4 15.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.5 -49.39 60.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -114.75 172.4 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 p -131.76 149.41 73.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 111.112 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.581 ' HE2' HG13 ' A' ' 97' ' ' VAL . 13.5 mtp -48.1 167.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -127.47 115.06 21.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.932 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.428 ' N ' HD13 ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.74 160.77 48.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.69 -176.81 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.95 -175.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.32 29.04 6.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 25' ' ' VAL . 2.5 t -60.62 111.37 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.752 0.311 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.98 123.07 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.68 97.56 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 24.9 t -92.61 136.03 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.23 112.9 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.1 mt -78.63 -52.42 8.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.896 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -147.54 175.97 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -44.75 -47.34 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.667 ' H ' HG23 ' A' ' 31' ' ' THR . 6.6 p-10 -113.17 42.18 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.896 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -154.11 132.93 12.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -144.97 117.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tpp85 -90.11 111.62 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG21 ' HD2' ' A' ' 93' ' ' PHE . 48.5 t -99.06 106.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -116.21 133.57 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.485 ' CE3' HG21 ' A' ' 95' ' ' VAL . 37.5 p90 -129.49 173.49 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.99 151.17 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 14.4 p-10 -104.64 128.3 52.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -123.98 -24.42 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.2 p -84.42 41.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 44' ' ' VAL . 3.0 p -139.01 109.49 7.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 122.33 9.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -62.96 157.05 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.464 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 21.9 t-20 64.07 51.73 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -100.61 122.93 44.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -61.22 2.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 p -106.75 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.4 p -137.27 148.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -87.14 142.81 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.23 130.68 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -127.02 155.44 43.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.7 tp -131.0 142.45 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.54 128.55 55.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -109.15 150.53 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.59 124.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HG2' ' CH2' ' A' ' 106' ' ' TRP . 0.2 OUTLIER -132.04 144.89 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 24.0 p90 -148.83 139.51 22.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.721 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 7.5 tmm_? -136.23 139.52 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 65' ' ' SER . 4.7 p -36.16 137.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 91' ' ' TYR . 37.2 m -79.16 128.93 33.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 55.47 46.51 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 62' ' ' THR . 91.0 p -100.78 -176.27 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.41 128.87 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m 62.43 33.06 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -94.42 173.59 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.23 158.56 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.545 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 9.9 m-85 -105.19 128.35 53.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -84.67 169.96 13.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -161.38 138.94 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -145.26 151.32 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.1 p-10 -103.79 127.14 51.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 t -144.37 130.86 19.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.3 p -90.79 29.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.5 m -135.72 164.59 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 18.7 mt -90.25 30.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -161.9 130.48 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -133.82 140.87 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 ' CD1' ' A' ' 30' ' ' LEU . 11.9 m -101.37 108.73 20.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.01 103.46 10.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -104.0 150.26 24.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.77 49.15 5.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.4 mt -107.88 177.02 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttmm -92.22 133.13 30.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.871 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.83 63.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.452 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 1.8 t-20 53.98 27.88 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -132.27 132.43 43.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.7 ttp -106.57 150.98 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' OH ' ' N ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -138.77 -174.27 3.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.503 ' HG2' HG21 ' A' ' 109' ' ' THR . 27.1 mt-10 -100.19 140.02 35.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' HD2' HG21 ' A' ' 37' ' ' VAL . 58.3 m-85 -129.99 143.14 50.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -154.01 -178.64 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.485 HG21 ' CE3' ' A' ' 39' ' ' TRP . 97.5 t -151.6 150.55 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 12.7 ptm -150.39 173.07 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.581 HG13 ' HE2' ' A' ' 19' ' ' MET . 7.1 p -140.05 133.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.5 m -107.2 94.15 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 13.0 ttpt -121.58 154.93 36.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 8.5 m-80 64.32 46.98 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 8.3 ptp180 47.45 35.97 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.7 ptm85 -153.64 154.5 34.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.92 138.76 43.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 17.4 p -92.28 -174.4 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.826 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -87.41 161.49 17.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 79.5 m95 -83.8 136.31 34.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -66.65 -174.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.41 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -51.89 153.19 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.503 HG21 ' HG2' ' A' ' 92' ' ' GLU . 86.1 m -87.98 132.21 34.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.167 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.57 123.96 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -97.2 134.49 40.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.57 112.49 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -82.55 149.85 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 p -90.77 161.87 15.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -75.23 145.02 42.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.452 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 16.2 tt0 -63.05 111.5 2.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.05 -39.4 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.5 m -101.18 76.8 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -175.98 86.83 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -5.54 16.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.7 m -119.65 149.4 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.8 t -124.92 125.87 44.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -159.67 149.42 18.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -99.84 42.07 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.06 -39.8 7.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 70.48 41.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m 62.55 40.59 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.74 86.41 0.74 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 77.4 t80 -130.19 99.81 19.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.637 0.732 . . . . 0.0 110.869 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 53.6 Cg_endo -69.83 170.11 17.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.7 m -72.63 135.14 45.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.0 t -123.9 107.58 11.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.07 142.98 79.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -43.65 162.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -49.13 178.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.7 p -90.53 167.58 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.7 p -150.08 150.61 30.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.698 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HE2' ' HB3' ' A' ' 99' ' ' LYS . 53.6 mmm -127.43 -177.37 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -153.04 112.94 2.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -178.69 2.44 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG21 ' ND2' ' A' ' 42' ' ' ASN . 27.4 m -143.68 -177.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.48 34.09 18.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.0 t -63.83 108.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.09 136.94 52.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -109.19 101.47 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 36' ' ' ARG . 4.2 t -93.46 133.38 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.16 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.643 HD21 ' CB ' ' A' ' 36' ' ' ARG . 6.4 mt -80.8 -51.75 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.913 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.4 t -148.72 174.76 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -44.81 -44.75 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.72 ' H ' HG23 ' A' ' 31' ' ' THR . 9.0 m-20 -115.01 41.09 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.913 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.7 132.79 12.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.11 113.52 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.643 ' CB ' HD21 ' A' ' 30' ' ' LEU . 9.4 tpp85 -85.9 107.88 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.662 HG21 ' CD2' ' A' ' 93' ' ' PHE . 43.5 t -94.84 109.3 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -118.87 137.53 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.509 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 34.6 p90 -133.83 -175.54 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.82 161.27 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.616 ' O ' HG12 ' A' ' 44' ' ' VAL . 10.9 p30 -119.35 101.29 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.473 ' ND2' HG21 ' A' ' 23' ' ' VAL . 25.3 m-20 -87.92 -16.96 32.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 p -90.89 35.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.692 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.1 p -124.95 93.93 44.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 44' ' ' VAL . 53.8 Cg_endo -69.75 166.96 25.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -82.17 159.33 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 62.7 38.59 11.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -85.01 82.53 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -91.58 -55.35 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -107.06 111.58 24.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 m -144.18 -177.75 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -101.43 125.04 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 p -38.34 158.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 138.35 10.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.3 tp -115.02 146.92 40.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.439 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 5.3 m-85 -109.39 127.48 54.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 m -108.41 150.44 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.17 125.32 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -128.21 155.25 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 48.5 p90 -160.1 131.62 5.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.535 ' HB3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -134.89 145.36 48.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -38.07 139.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.1 p -81.93 131.63 35.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 48.84 51.19 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -119.49 130.06 55.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.34 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -98.42 132.86 43.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.08 150.21 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -103.97 118.27 36.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.7 m-85 -69.67 108.86 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 7.5 ttmm -72.82 157.14 38.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -155.8 126.65 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -129.29 157.2 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.723 ' HB2' HD11 ' A' ' 55' ' ' LEU . 1.2 p-10 -110.05 131.0 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 t -150.35 144.66 25.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 p -97.33 4.85 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -101.95 173.24 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 80.4 mt -100.72 19.52 16.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -151.57 128.72 11.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -129.44 139.5 51.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.493 HG23 HD11 ' A' ' 30' ' ' LEU . 3.6 m -101.58 113.33 26.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -85.77 101.99 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.1 p -102.08 158.66 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.9 55.43 7.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.2 mt -114.93 -176.81 2.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -99.15 136.83 20.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.8 65.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.19 39.68 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m -142.95 128.24 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.413 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 13.7 tmm? -103.88 152.96 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.5 OUTLIER -138.67 -179.38 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 5.4 tt0 -102.27 125.77 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.662 ' CD2' HG21 ' A' ' 37' ' ' VAL . 21.0 m-85 -116.71 141.92 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 m -151.58 166.36 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.452 HG21 ' CE3' ' A' ' 39' ' ' TRP . 42.1 t -137.61 154.57 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.59 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 20.9 ptm -151.95 -175.0 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CE ' ' A' ' 19' ' ' MET . 1.3 p -143.02 138.43 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 102' ' ' ARG . 93.0 m -119.6 94.09 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.538 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -126.41 152.18 46.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.447 ' HB2' ' CD ' ' A' ' 99' ' ' LYS . 33.0 t-20 74.29 31.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 63.03 28.08 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 98' ' ' THR . 6.5 ptm180 -146.82 154.12 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.467 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 94.9 p -106.01 133.64 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 1.3 t -89.78 175.19 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.436 ' N ' ' OG ' ' A' ' 104' ' ' SER . 15.0 t -75.87 169.24 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.59 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 84.1 m95 -88.25 158.24 18.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t -97.61 176.07 5.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 13.3 ptm -40.08 131.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 19.4 m -78.81 154.34 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.409 ' N ' ' CG2' ' A' ' 109' ' ' THR . . . -125.26 124.39 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.57 129.06 39.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . -146.96 114.91 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -86.69 146.91 26.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 40.8 p -88.24 154.01 20.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -71.62 151.49 43.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -68.43 111.67 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.2 162.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.5 t -108.16 149.73 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.6 -94.41 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -13.22 34.58 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.662 2.241 . . . . 0.0 112.361 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -96.18 173.11 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.0 t -149.84 168.88 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 71.17 41.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -83.6 138.7 33.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.08 174.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -94.05 92.55 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 m -125.49 83.08 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.5 167.42 12.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -138.13 123.27 12.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' THR . 54.2 Cg_endo -69.7 -16.85 37.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.246 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.1 m -34.94 125.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -43.71 137.69 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.53 129.83 94.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.78 20.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -46.87 147.55 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mp -105.55 32.01 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.3 m -96.34 -34.82 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 p -41.65 154.56 0.24 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.627 0.727 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -165.13 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.451 ' HE3' HG13 ' A' ' 97' ' ' VAL . 63.2 mmm -42.66 154.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD13 ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -118.78 123.94 28.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.77 166.44 27.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.825 HG21 ' OD1' ' A' ' 42' ' ' ASN . 28.7 m -144.09 -176.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 42.49 45.92 5.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.75 102.93 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.79 148.53 39.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 112' ' ' ALA . . . -118.76 100.47 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ARG . 22.3 t -92.59 134.7 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.79 113.96 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.1 mt -85.19 -52.35 5.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.922 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.1 t -149.1 172.15 15.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -40.96 -48.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.642 ' H ' HG23 ' A' ' 31' ' ' THR . 21.5 p-10 -113.35 43.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.922 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -155.33 126.05 6.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -138.24 111.58 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.666 ' HB2' HD11 ' A' ' 30' ' ' LEU . 12.7 tpp180 -81.99 112.19 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.01 107.03 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.2 p -109.88 141.6 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.537 ' CE2' HG11 ' A' ' 95' ' ' VAL . 46.1 p90 -142.12 177.41 8.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.88 167.95 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -123.06 123.62 41.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.825 ' OD1' HG21 ' A' ' 23' ' ' VAL . 4.6 m120 -117.08 -5.78 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -53.03 -22.52 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.69 113.76 54.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.68 26.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -174.68 178.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -76.36 49.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -40.6 127.64 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -51.22 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -85.23 105.27 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.6 p -99.09 115.11 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.98 144.76 48.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' C ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 p -87.21 141.58 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' HG3' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -143.59 -176.77 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.5 tp -128.48 135.29 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.64 127.01 53.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 58' ' ' VAL . 25.6 m -102.13 156.74 17.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 57' ' ' THR . 16.1 t -141.59 123.52 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.0 ptt85 -129.97 159.35 36.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.501 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 32.5 p90 -159.71 141.66 13.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.562 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 2.2 ttt180 -139.08 143.54 38.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 p -42.8 126.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -79.82 129.51 34.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 70.15 34.42 2.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -106.0 129.45 54.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.21 -59.29 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -135.36 121.62 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.52 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -104.55 152.53 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.562 ' CE1' ' HD2' ' A' ' 61' ' ' ARG . 13.6 m-85 -99.92 130.69 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -96.58 154.99 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 p -145.83 140.8 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -147.14 136.08 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.454 ' OD1' ' C ' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -87.94 139.31 30.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 t -153.1 128.61 9.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.9 p -94.04 39.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.1 m -143.63 170.14 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 mt -94.88 25.27 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.3 p -160.99 124.12 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -124.68 151.1 45.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.415 HG23 ' CD1' ' A' ' 30' ' ' LEU . 35.0 m -112.99 99.09 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.43 104.18 4.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.8 p -105.8 158.52 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.52 43.93 11.64 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.99 -179.92 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -95.07 134.09 25.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.477 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.71 153.99 68.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.477 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 12.1 p30 51.8 30.52 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 m -135.82 139.56 43.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.481 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.3 ttp -114.54 153.22 30.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -144.55 -178.34 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 109' ' ' THR . 0.4 OUTLIER -106.54 141.59 37.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.501 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 72.0 m-85 -128.75 137.55 51.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -140.45 145.27 36.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 39' ' ' TRP . 24.8 t -118.14 152.01 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -148.89 -175.09 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.451 HG13 ' HE3' ' A' ' 19' ' ' MET . 3.6 p -144.25 148.65 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 102' ' ' ARG . 51.8 m -126.94 98.95 5.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -126.44 157.83 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 64.01 40.25 7.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 55.8 28.19 11.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 102' ' ' ARG . 1.6 ptm85 -145.16 153.91 41.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -98.67 148.16 24.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 105' ' ' THR . 13.9 t -96.4 -179.7 4.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.44 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.1 t -86.92 160.17 18.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -83.35 136.42 34.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 t -80.42 179.26 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.7 ptm -48.16 123.33 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 92' ' ' GLU . 29.6 m -72.12 144.65 48.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -113.51 160.76 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -122.43 150.27 42.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . -167.46 119.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.481 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.4 m -88.99 147.74 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.6 p -92.3 150.07 21.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -61.08 152.16 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -71.16 110.72 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 87' ' ' PRO . . . -46.31 -54.87 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 p -160.4 122.37 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.65 -157.49 20.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.33 57.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.8 p -108.95 134.67 51.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.0 p -115.94 145.92 42.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -50.66 176.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -107.5 -60.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.18 168.42 20.52 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -102.7 166.35 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -109.99 41.78 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.3 -113.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -140.53 155.51 69.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 154.61 67.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t -138.96 165.88 25.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -72.2 131.56 42.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.25 147.81 42.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 0.0 111.184 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ASP . 53.7 Cg_endo -69.75 160.94 47.83 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.347 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' PRO . 45.7 m-20 -37.61 150.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.31 85.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -70.49 -42.96 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -140.91 151.41 62.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.526 0.679 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 4.81 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.515 ' CB ' ' HB2' ' A' ' 104' ' ' SER . 14.4 mtp -74.44 -174.43 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.08 106.68 5.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 161.02 47.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -170.98 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -154.1 -179.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.89 51.72 23.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.09 119.72 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -120.86 130.8 54.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 112' ' ' ALA . . . -107.71 100.9 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' ARG . 43.3 t -94.28 140.17 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.72 114.11 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' CD1' HG23 ' A' ' 81' ' ' THR . 19.0 mt -82.13 -52.03 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.91 HG23 ' H ' ' A' ' 33' ' ' ASP . 2.5 t -147.92 176.43 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -49.13 -34.65 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.91 ' H ' HG23 ' A' ' 31' ' ' THR . 74.1 m-20 -123.05 41.17 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.893 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.54 139.0 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -147.89 115.97 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 28' ' ' VAL . 10.9 tpp180 -88.97 109.92 20.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 93' ' ' PHE . 59.8 t -101.28 111.95 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.18 153.75 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.805 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.417 ' CD2' HG21 ' A' ' 95' ' ' VAL . 40.6 p90 -147.77 -175.15 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.21 137.01 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -88.35 107.66 18.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -89.93 -36.73 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 p -53.84 -24.31 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 77.3 t -108.29 103.02 49.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.637 0.732 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.81 -167.18 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -21.93 60.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -148.21 124.62 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -146.35 131.03 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -121.42 71.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.441 HG21 ' HE ' ' A' ' 54' ' ' ARG . 14.3 t -83.83 159.96 21.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.5 t -104.04 -52.57 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.56 119.94 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.658 HG22 ' H ' ' A' ' 54' ' ' ARG . 3.1 p -48.41 173.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.658 ' H ' HG22 ' A' ' 53' ' ' VAL . 4.6 mtt-85 -142.31 135.31 28.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 74' ' ' ASP . 4.2 tp -120.29 143.35 48.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.78 129.88 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -113.2 150.83 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' SER . 26.9 t -134.32 128.68 52.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.485 ' CB ' ' HB2' ' A' ' 72' ' ' SER . 31.7 ptt85 -121.42 151.63 39.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.575 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 41.5 p90 -154.88 125.96 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.693 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -134.98 142.12 46.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.485 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 5.9 p -39.25 135.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.8 t -89.33 132.11 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 53.64 46.84 25.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -118.42 156.12 29.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -61.04 177.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -37.05 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -118.01 178.9 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 141.51 47.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.59 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 -89.34 124.66 34.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 11.4 tttp -101.9 145.22 29.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.485 ' HB2' ' CB ' ' A' ' 59' ' ' ARG . 1.2 t -162.48 153.99 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 80' ' ' TYR . 5.2 pt-20 -151.67 171.74 17.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.705 ' HB2' HD11 ' A' ' 55' ' ' LEU . 5.4 p-10 -87.68 145.54 26.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 75' ' ' THR . 11.4 t -154.93 109.24 2.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.7 p -79.85 41.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -142.26 153.26 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.2 mt -82.46 18.74 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.6 p -153.43 119.78 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 73' ' ' GLU . 54.7 t80 -110.15 151.57 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.3 m -123.95 101.32 7.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -75.91 100.68 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -104.23 146.97 28.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 44.15 6.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.679 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.2 mt -105.63 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -94.33 137.84 22.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.504 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.5 Cg_endo -69.82 161.1 47.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.286 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 87' ' ' PRO . 3.1 p-10 43.47 35.53 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.8 m -137.86 138.83 39.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.521 ' HB2' HG23 ' A' ' 113' ' ' THR . 62.6 ttp -113.9 149.29 35.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -135.74 -179.65 5.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' CG ' HG21 ' A' ' 109' ' ' THR . 3.0 pt-20 -111.23 125.42 53.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.7 m-85 -112.1 154.36 25.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -153.4 170.33 20.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.417 HG21 ' CD2' ' A' ' 39' ' ' TRP . 26.5 t -139.36 154.74 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.601 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 25.1 ptm -154.04 -176.3 5.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.458 HG13 ' HE2' ' A' ' 19' ' ' MET . 7.5 p -146.84 142.37 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.068 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.5 m -120.85 94.93 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 12.0 ttpt -126.47 150.24 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 72.87 37.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 58.56 25.18 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -142.03 149.77 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.8 m -101.3 136.85 40.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.515 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 16.4 t -88.01 -178.15 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' A' ' 104' ' ' SER . 14.5 t -88.9 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.601 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 56.2 m95 -79.85 138.64 37.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' MET . 64.6 p -77.85 169.86 17.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.827 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' SER . 7.9 ptm -35.94 121.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.487 HG21 ' CG ' ' A' ' 92' ' ' GLU . 9.8 m -73.8 128.5 35.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.173 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.97 163.0 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -123.39 157.15 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.433 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -172.93 117.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.521 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.2 m -90.0 148.24 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -93.13 149.34 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -61.5 136.29 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.72 123.36 13.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -54.53 -41.78 70.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 t -97.46 99.92 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 116.64 105.34 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.99 67.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.1 t -95.43 102.84 14.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.2 p -115.36 117.83 31.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -173.37 159.16 3.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -172.54 173.6 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.09 -84.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t 53.13 46.81 25.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -57.21 169.46 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.56 -140.82 2.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.433 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -85.59 143.48 38.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 85.95 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.303 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.7 m -145.4 119.54 9.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 p -43.78 149.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG12 ' HD2' ' A' ' 13' ' ' PRO . 1.2 t -107.87 135.49 19.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' HD2' HG12 ' A' ' 12' ' ' VAL . 53.3 Cg_endo -69.78 4.59 2.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 13' ' ' PRO . 7.8 p-10 -34.05 117.0 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mt -99.55 169.02 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -94.79 -36.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.8 p -48.18 145.84 4.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HG2' ' NE ' ' A' ' 102' ' ' ARG . 53.9 Cg_endo -69.81 4.2 2.35 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 12.7 mtp -116.71 179.31 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -140.57 111.58 6.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -177.79 2.07 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 m -150.52 -175.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.39 31.14 34.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.517 HG21 ' OG ' ' A' ' 107' ' ' SER . 2.9 t -66.63 116.04 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -117.48 125.42 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 100.87 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.55 134.84 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.18 114.81 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 81' ' ' THR . 12.7 mt -84.89 -51.73 6.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.915 HG22 ' CB ' ' A' ' 34' ' ' ALA . 2.2 t -148.65 176.15 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.564 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 17.5 p-80 -49.19 -38.1 24.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.834 ' H ' HG23 ' A' ' 31' ' ' THR . 2.5 p30 -119.25 41.95 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.915 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.74 148.17 26.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' ALA . 16.7 t -159.72 114.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HB2' HD21 ' A' ' 30' ' ' LEU . 13.9 tpp180 -87.2 103.74 15.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -92.51 110.65 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.0 p -120.92 138.15 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.528 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 44.7 p90 -131.93 -178.56 4.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.32 149.5 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -95.23 132.21 40.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -119.71 -22.18 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p -88.54 30.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.606 ' O ' HG12 ' A' ' 44' ' ' VAL . 20.2 t -129.47 88.9 48.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.52 49.42 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.44 147.1 52.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.3 m120 45.1 52.6 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -44.62 109.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -64.95 -56.85 10.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.0 p -86.22 108.64 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.0 p -75.75 81.47 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -101.83 114.82 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' C ' ' HG3' ' A' ' 54' ' ' ARG . 9.3 p -77.48 151.13 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.606 ' N ' ' HE ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -143.61 -175.01 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.5 tp -138.75 136.18 35.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -108.74 126.12 52.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.7 m -110.63 147.81 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -132.31 112.56 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' LYS . 5.1 ptp180 -112.3 152.34 28.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -151.51 130.92 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.6 tmm_? -136.36 140.12 43.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 p -39.16 140.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -93.67 123.4 36.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 72.14 39.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -120.89 137.25 54.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.04 -72.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -83.39 113.11 20.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.39 163.86 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.03 152.1 37.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 4.5 m-85 -89.74 118.58 29.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 6.7 tttp -100.56 148.99 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.8 p -161.43 161.23 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -143.58 151.97 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.66 124.06 37.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.7 t -138.31 147.75 43.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.6 p -101.4 21.04 14.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 p -119.06 178.33 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.528 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 96.5 mt -101.92 15.38 29.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 76.7 p -150.67 138.26 19.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -138.1 141.6 40.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.467 HG23 ' CD1' ' A' ' 30' ' ' LEU . 3.4 m -102.34 114.86 29.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -87.98 99.13 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.1 p -102.13 153.34 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 50.17 5.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -114.64 165.13 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -75.18 132.86 75.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.413 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.7 Cg_endo -69.78 156.35 63.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 12.6 p30 46.51 40.37 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.5 m -143.57 136.68 27.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.504 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 59.5 ttp -106.74 151.64 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -138.69 -177.86 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.765 ' HG3' HG23 ' A' ' 109' ' ' THR . 5.6 tt0 -101.77 128.64 48.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -120.19 142.03 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.7 p -154.38 179.83 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 96' ' ' MET . 38.4 t -146.69 156.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.584 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 7.6 ptm -149.01 -176.43 5.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.412 HG13 ' HE2' ' A' ' 19' ' ' MET . 2.6 p -147.99 146.5 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -121.34 99.2 6.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.4 OUTLIER -123.37 150.95 43.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.34 36.57 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 60.24 26.19 15.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 99' ' ' LYS . 1.2 ptt-85 -140.48 147.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.7 p -103.33 130.41 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 20.9 p -85.4 -175.6 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.822 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -80.9 162.68 23.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.584 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 73.8 m95 -83.33 148.04 27.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.517 ' OG ' HG21 ' A' ' 25' ' ' VAL . 79.8 p -75.03 -174.57 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.414 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -53.89 154.07 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.765 HG23 ' HG3' ' A' ' 92' ' ' GLU . 63.8 m -89.02 126.66 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -101.78 114.95 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -87.74 139.03 30.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.86 110.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -79.61 150.76 30.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.9 p -89.42 160.5 16.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -70.19 147.12 50.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.52 113.72 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.33 175.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.5 p -50.92 147.22 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.25 176.3 20.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.7 Cg_endo -69.76 3.49 2.74 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 120' ' ' PRO . 28.6 m -33.62 122.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 121' ' ' SER . 3.0 t -34.67 134.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -76.04 168.8 19.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.4 p 40.97 43.91 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.08 62.42 0.6 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -73.99 156.08 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -142.62 114.17 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.06 141.55 10.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.58 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 44.7 t80 -125.66 136.79 28.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.58 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 53.9 Cg_endo -69.76 132.15 22.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.737 2.291 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.9 p -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 t -126.0 122.0 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -55.08 120.46 29.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 106.58 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -148.08 114.48 5.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mp -139.16 152.05 47.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -76.62 -45.95 28.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.2 p -42.61 148.12 0.57 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.729 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.59 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.568 ' HE3' HG13 ' A' ' 97' ' ' VAL . 79.2 mmm -124.44 151.87 43.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.952 HD12 ' OG ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -131.73 116.4 15.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 163.35 38.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.81 177.87 5.17 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.51 -176.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 45.34 32.46 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.35 111.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -117.55 146.94 43.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.14 99.95 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.5 t -91.62 132.92 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.43 116.0 28.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' A' ' 36' ' ' ARG . 10.3 mt -86.8 -53.49 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.917 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.1 t -148.42 172.67 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CD2' ' OD2' ' A' ' 33' ' ' ASP . 26.6 p-80 -41.12 -48.84 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.644 ' H ' HG23 ' A' ' 31' ' ' THR . 1.1 p30 -113.37 42.14 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.917 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.35 127.19 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 37' ' ' VAL . 4.7 t -139.91 113.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.654 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.8 tpt180 -87.21 93.15 9.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.676 HG21 ' CD2' ' A' ' 93' ' ' PHE . 84.6 t -84.78 109.57 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.93 152.99 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 78' ' ' LEU . 35.6 p90 -144.23 -178.61 6.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.87 152.49 29.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.484 ' HB2' HD21 ' A' ' 78' ' ' LEU . 56.0 t0 -107.16 103.3 12.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -106.43 -19.82 13.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.952 ' OG ' HD12 ' A' ' 20' ' ' LEU . 5.8 m -87.23 53.8 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 8.3 p -131.73 122.22 18.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.612 0.72 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.34 14.65 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -56.83 -27.48 60.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 24.0 m-80 -144.38 122.93 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -98.03 86.48 3.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -113.84 41.6 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.5 153.99 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.2 p -55.56 -61.45 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -103.79 154.7 19.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -95.67 123.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.507 ' HA ' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -46.99 123.48 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 4.2 tp -91.21 130.34 37.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -98.51 128.62 44.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -108.19 142.69 38.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG12 ' CE3' ' A' ' 60' ' ' TRP . 16.8 t -115.92 121.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 2.4 ptp180 -127.39 149.85 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.489 ' CB ' ' O ' ' A' ' 92' ' ' GLU . 37.4 p90 -159.11 154.75 26.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.681 ' HD2' ' HB3' ' A' ' 68' ' ' ALA . 2.5 ttp180 -152.77 150.11 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 65' ' ' SER . 3.2 p -50.04 127.71 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m -70.53 138.49 51.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 49.77 40.18 19.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' OG1' ' A' ' 62' ' ' THR . 0.9 OUTLIER -101.59 -179.37 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.33 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m 41.64 35.82 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.681 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . . . -90.24 169.39 11.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.13 141.41 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CE1' ' CB ' ' A' ' 61' ' ' ARG . 3.4 m-85 -91.26 134.23 34.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -88.72 174.48 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 p -161.23 134.58 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -138.8 154.9 48.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.09 121.57 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.0 t -140.35 132.38 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.0 p -93.57 29.8 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -132.11 172.86 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 41' ' ' ASP . 10.6 mt -96.67 24.0 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 p -156.95 131.45 8.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.89 150.27 49.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.45 HG23 ' CD1' ' A' ' 30' ' ' LEU . 26.2 m -112.15 99.53 8.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -73.7 103.69 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.9 p -103.56 152.52 21.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.94 48.61 6.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.581 HD21 ' HB1' ' A' ' 82' ' ' ALA . 1.3 mt -110.48 171.3 7.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -83.81 132.61 48.26 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.587 0.708 . . . . 0.0 110.905 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.452 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.9 Cg_endo -69.77 153.25 69.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.6 p30 48.54 33.44 4.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 91' ' ' TYR . 77.2 m -139.93 128.04 22.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -98.67 145.42 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.545 ' HE2' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -131.5 -173.41 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 60' ' ' TRP . 11.8 mt-10 -100.23 143.49 30.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.676 ' CD2' HG21 ' A' ' 37' ' ' VAL . 89.4 m-85 -133.7 139.76 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t -152.52 178.8 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 96' ' ' MET . 28.3 t -151.89 154.92 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.522 ' HG2' ' CZ2' ' A' ' 106' ' ' TRP . 4.9 ppp? -154.02 -176.37 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.568 HG13 ' HE3' ' A' ' 19' ' ' MET . 4.7 p -137.72 145.86 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -129.85 97.03 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -126.92 154.76 44.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 4.9 m-20 66.77 41.52 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 50.03 42.18 24.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 4.2 ptp180 -158.14 139.18 13.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.418 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 92.2 p -89.39 147.91 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 12.9 p -105.69 -174.35 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -84.85 165.26 17.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 59' ' ' ARG . 78.1 m95 -91.88 172.03 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.1 t -112.36 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 ptm -38.86 142.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.7 m -84.14 151.1 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -124.22 122.04 36.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -91.69 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.81 105.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -72.61 146.13 46.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -86.77 153.93 21.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -64.04 140.28 58.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 117' ' ' ALA . 17.7 tt0 -62.93 107.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 116' ' ' GLU . . . -37.7 -46.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -109.76 86.04 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 112.8 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.9 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.3 t -38.41 132.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.835 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.4 p -61.35 179.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -105.75 99.3 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.381 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -92.01 -43.62 9.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.6 101.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -130.63 117.59 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -141.17 172.79 12.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.03 -118.63 1.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 33.3 t80 -128.33 109.23 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.724 . . . . 0.0 110.861 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 53.5 Cg_endo -69.83 -172.78 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.616 2.21 . . . . 0.0 112.316 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -63.26 130.15 43.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -74.78 -76.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.84 143.24 30.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 170.51 16.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.268 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -114.19 157.14 23.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.1 154.54 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -94.66 79.01 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -131.6 147.19 65.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.1 2.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.439 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 69.8 mmm -93.97 162.8 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -139.45 107.16 7.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 169.57 18.49 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.558 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.84 173.62 10.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.727 2.284 . . . . 0.0 112.291 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.87 -176.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.64 60.77 1.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG21 ' OG ' ' A' ' 107' ' ' SER . 55.4 t -82.79 111.45 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -112.02 140.52 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 112' ' ' ALA . . . -114.36 105.47 13.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' ARG . 19.4 t -94.67 134.37 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.85 109.84 22.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 36' ' ' ARG . 13.7 mt -79.9 -55.4 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.91 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.3 t -146.48 176.12 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -44.13 -46.85 8.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.674 ' H ' HG23 ' A' ' 31' ' ' THR . 7.6 p30 -114.86 42.08 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.91 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -152.65 130.63 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.533 ' HB ' ' HB3' ' A' ' 82' ' ' ALA . 5.1 t -141.73 113.92 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.549 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.5 tpp85 -86.66 103.85 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.22 111.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.0 p -120.9 133.12 55.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' CE3' HG21 ' A' ' 95' ' ' VAL . 35.0 p90 -129.46 178.3 6.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.0 166.74 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -122.49 134.07 54.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' VAL . 32.3 m-20 -129.84 -52.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.626 ' HB3' HD12 ' A' ' 20' ' ' LEU . 60.4 p -35.98 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' ASN . 14.0 p -70.24 129.87 90.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 163.88 36.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -47.82 -42.08 25.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -130.44 130.79 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -97.87 56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -19.26 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 p -90.13 151.15 21.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 t -106.89 82.34 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 126.04 54.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 t -80.48 140.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.88 149.24 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 74' ' ' ASP . 4.7 tp -125.82 139.89 53.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.67 132.33 54.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -112.09 153.98 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 95' ' ' VAL . 98.9 t -136.03 123.59 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.648 ' NH2' ' CE2' ' A' ' 70' ' ' TYR . 3.7 ptm180 -122.24 167.35 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 44.5 p90 -167.72 140.65 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.796 HH11 ' HB3' ' A' ' 68' ' ' ALA . 6.8 ttp85 -137.95 145.41 41.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.467 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -47.43 133.77 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -89.82 130.48 36.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 67.34 33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 -174.91 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.87 161.39 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 m 52.57 41.34 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.796 ' HB3' HH11 ' A' ' 61' ' ' ARG . . . -106.38 147.15 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.071 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -95.1 140.1 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CE2' ' NH2' ' A' ' 59' ' ' ARG . 6.3 m-85 -86.52 108.69 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -79.61 157.71 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -156.0 149.58 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -146.91 138.65 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.597 ' HB2' HD11 ' A' ' 55' ' ' LEU . 15.4 p-10 -91.79 117.28 29.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 t -133.58 145.6 50.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.3 p -97.44 8.86 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -108.41 167.67 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 mt -92.52 19.9 6.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 p -154.45 131.53 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 81' ' ' THR . 10.0 t80 -128.69 140.85 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 2.7 m -98.13 125.72 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.576 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -95.19 98.29 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.9 p -100.7 157.16 16.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.01 48.8 18.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 82' ' ' ALA . 1.9 mt -109.25 -177.88 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.368 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 14.1 ttpt -99.19 136.95 20.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.428 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.76 158.32 57.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 44.06 26.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 m -130.52 125.28 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.665 ' HB2' HG23 ' A' ' 113' ' ' THR . 14.1 tmm? -102.99 153.12 20.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -140.67 -175.41 4.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HG3' HG21 ' A' ' 109' ' ' THR . 3.1 pt-20 -112.22 125.6 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.687 ' O ' HG23 ' A' ' 109' ' ' THR . 18.8 m-85 -112.47 156.98 21.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.6 p -154.18 169.19 24.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG21 ' CE3' ' A' ' 39' ' ' TRP . 47.3 t -139.9 144.42 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 106' ' ' TRP . 5.0 ppp? -141.55 -175.46 4.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.6 p -142.08 143.62 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 102' ' ' ARG . 93.6 m -124.21 98.42 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -126.05 144.27 50.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 14.8 t-20 73.55 49.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 100' ' ' ASN . 7.9 ptm180 44.78 34.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 98' ' ' THR . 1.7 ptm85 -150.74 153.43 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 m -109.82 147.28 33.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.439 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 54.2 p -106.8 -175.77 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.0 t -77.41 159.3 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.593 ' CZ3' ' HG3' ' A' ' 96' ' ' MET . 62.3 m95 -84.43 143.71 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.519 ' OG ' HG21 ' A' ' 25' ' ' VAL . 94.7 p -72.37 177.89 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.3 ptm -47.39 123.14 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 93' ' ' PHE . 29.2 m -74.44 135.75 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -107.66 170.02 8.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -128.18 153.07 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . . . -168.33 116.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 90' ' ' MET . 2.0 m -84.28 155.27 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.0 p -99.84 157.33 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.8 133.15 45.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -52.04 127.2 20.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -61.4 149.57 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.2 t 65.39 40.5 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.96 122.0 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 173.79 10.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.288 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.3 p -97.39 -45.85 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.2 t -111.16 95.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -81.52 172.79 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -101.66 -49.46 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.15 105.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -77.07 150.04 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.2 p -171.97 161.7 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.95 -166.73 27.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.68 97.93 26.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.44 2.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.298 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -101.08 142.38 32.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -86.56 90.42 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -116.22 133.53 22.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.91 32.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -144.96 106.69 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 16' ' ' SER . 0.3 OUTLIER -173.01 139.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.501 ' HB3' HD12 ' A' ' 15' ' ' LEU . 52.4 p 50.01 42.72 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -129.97 155.66 80.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' MET . 53.3 Cg_endo -69.8 -164.94 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' PRO . 79.6 mmm -36.03 143.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -109.98 116.39 53.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.566 0.698 . . . . 0.0 110.941 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.424 ' HD2' HD13 ' A' ' 20' ' ' LEU . 53.4 Cg_endo -69.75 169.74 18.18 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.733 2.289 . . . . 0.0 112.324 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 179.04 3.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.73 HG21 ' ND2' ' A' ' 42' ' ' ASN . 18.1 m -145.95 -178.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.99 27.54 3.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.28 108.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -114.56 137.16 52.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.64 99.13 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ARG . 31.5 t -85.44 135.63 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.41 111.11 23.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 36' ' ' ARG . 3.3 mt -80.25 -52.01 8.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.91 HG22 ' CB ' ' A' ' 34' ' ' ALA . 1.5 t -149.11 176.21 10.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.445 ' NE2' ' OD1' ' A' ' 33' ' ' ASP . 33.5 p-80 -46.13 -43.25 14.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.749 ' H ' HG23 ' A' ' 31' ' ' THR . 16.3 p-10 -116.49 41.13 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.91 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -153.67 131.95 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -143.65 115.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.6 ' HB2' HD21 ' A' ' 30' ' ' LEU . 6.0 tpp85 -88.94 105.24 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.11 106.56 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.1 p -116.87 126.54 53.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.646 ' CE2' HG11 ' A' ' 95' ' ' VAL . 35.1 p90 -125.93 171.59 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.99 151.03 29.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -101.84 120.06 39.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.73 ' ND2' HG21 ' A' ' 23' ' ' VAL . 20.2 m-20 -110.33 -44.9 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 20' ' ' LEU . 70.1 p -34.29 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' ASN . 25.8 m -70.55 143.43 90.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 176.45 6.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -52.67 -44.87 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -124.57 133.29 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.24 110.86 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -99.5 -45.48 5.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.2 p -116.84 102.69 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -107.51 149.45 27.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' VAL . 1.3 mp0 -62.81 132.99 54.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLU . 84.6 t -34.91 133.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.22 173.19 11.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.858 HD13 ' C ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.98 140.15 20.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.683 ' N ' HD13 ' A' ' 55' ' ' LEU . 8.8 m-85 -116.42 122.4 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 58' ' ' VAL . 58.9 m -92.37 156.17 17.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 57' ' ' THR . 23.1 t -139.68 126.59 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HD3' ' CH2' ' A' ' 106' ' ' TRP . 30.4 ptt85 -132.13 158.8 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.6 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 42.3 p90 -163.36 134.94 4.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.772 ' HD3' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -141.31 146.43 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.15 140.46 2.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -83.45 113.47 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 71.86 54.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.59 -175.36 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.56 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.3 m 55.82 46.33 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB1' ' HD3' ' A' ' 61' ' ' ARG . . . -107.97 110.36 22.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.507 ' O ' ' CZ ' ' A' ' 61' ' ' ARG . 9.0 mmmm -66.65 116.22 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.622 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m-85 -64.85 138.07 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 8.1 tttp -98.45 151.81 20.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -150.55 134.39 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -134.34 146.32 49.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.81 119.67 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -133.67 125.9 29.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.6 p -83.3 25.15 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -131.2 169.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.514 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 10.8 mt -94.69 27.98 2.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.2 p -157.69 134.1 9.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.536 ' CE1' ' CH2' ' A' ' 60' ' ' TRP . 32.4 t80 -138.67 140.07 38.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.559 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.0 m -99.77 113.19 25.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.41 97.56 10.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.8 p -103.36 149.11 25.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.55 46.81 5.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.3 mt -108.68 -175.81 2.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' OH ' ' A' ' 91' ' ' TYR . 12.2 ttpp -97.58 133.22 23.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.14 62.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.454 ' ND2' ' HG3' ' A' ' 116' ' ' GLU . 2.1 t-20 55.55 32.94 20.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.9 m -139.51 126.47 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.42 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 11.4 tmm? -100.48 153.12 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.29 178.06 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.45 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 2.3 tt0 -101.16 125.27 47.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -111.0 150.75 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -153.97 158.47 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.646 HG11 ' CE2' ' A' ' 39' ' ' TRP . 61.0 t -139.62 146.72 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.509 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 23.6 ptm -143.74 -175.09 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.8 p -141.26 140.83 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 102' ' ' ARG . 99.2 m -122.62 94.86 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -124.75 152.21 44.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 71.72 36.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.3 31.44 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 98' ' ' THR . 6.3 ptm180 -147.79 154.46 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.6 p -103.76 141.64 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 p -99.29 -175.71 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.9 t -82.77 165.17 20.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 75.8 m95 -84.25 166.18 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.8 t -107.86 170.38 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 ptm -39.75 139.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.45 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 2.9 m -79.34 150.18 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -118.57 119.39 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -92.56 126.32 37.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.94 111.32 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -80.69 147.97 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -86.49 161.13 18.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -75.23 141.68 43.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.454 ' HG3' ' ND2' ' A' ' 88' ' ' ASN . 17.2 tt0 -63.29 112.07 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.08 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 12.7 t -71.98 -51.05 23.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.24 116.11 8.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -177.23 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -93.68 167.23 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.4 p -170.34 165.06 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -82.52 147.64 28.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.829 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -138.15 179.38 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -167.16 15.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -168.25 144.68 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -117.68 -49.58 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.94 71.32 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.534 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -127.75 126.14 23.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 1.84 4.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.634 2.222 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.2 t -39.85 146.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -70.71 174.82 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.33 145.97 31.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 124.81 11.45 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.724 2.283 . . . . 0.0 112.31 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -84.57 44.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.2 mt -109.2 113.87 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 t -87.65 43.01 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -104.11 150.77 38.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 4.43 2.18 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.543 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 71.7 mmm -130.06 -175.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -160.54 112.55 1.35 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.922 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HG3' HG23 ' A' ' 105' ' ' THR . 53.0 Cg_endo -69.78 171.18 14.96 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.81 178.59 4.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.6 HG21 ' ND2' ' A' ' 42' ' ' ASN . 32.7 m -143.08 -178.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.2 41.52 30.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 ' OG ' ' A' ' 107' ' ' SER . 16.6 t -66.0 115.85 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -116.9 134.95 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.22 101.86 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' ARG . 23.2 t -93.88 135.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.0 114.12 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 36' ' ' ARG . 21.6 mt -84.52 -52.31 6.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.966 HG22 ' HB3' ' A' ' 34' ' ' ALA . 2.5 t -147.43 176.1 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -50.35 -37.42 36.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.824 ' H ' HG23 ' A' ' 31' ' ' THR . 62.2 m-20 -119.37 41.96 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -156.47 143.77 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.8 t -152.44 117.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.599 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.4 tpp85 -90.79 107.8 19.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 93' ' ' PHE . 58.3 t -94.54 105.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -114.12 126.11 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.804 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CZ2' ' HA ' ' A' ' 78' ' ' LEU . 39.0 p90 -120.72 -175.65 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.29 167.46 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -121.27 124.88 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.6 ' ND2' HG21 ' A' ' 23' ' ' VAL . 1.8 m-80 -107.27 -41.96 4.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -46.94 -21.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.04 112.55 61.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -90.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.604 2.203 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASN . 17.7 ptmt -162.47 156.01 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' LYS . 10.5 m120 37.98 48.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -126.46 85.74 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -77.16 80.65 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.3 p -65.66 120.02 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 t -55.88 -45.71 78.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -66.56 151.65 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 p -123.99 158.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.15 176.84 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.6 tp -129.21 145.47 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.424 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 m-85 -111.27 125.73 54.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.7 m -103.73 148.83 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.0 t -133.27 125.6 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 59' ' ' ARG . 2.9 ptp180 -127.07 146.44 50.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 34.8 p90 -151.81 126.06 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 1.9 tmt_? -130.58 140.61 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.51 131.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.2 t -82.8 125.45 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 60.79 52.26 4.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -130.45 165.15 23.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -126.35 149.81 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t 61.83 48.88 5.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.05 166.88 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -122.27 142.05 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 8.0 m-85 -82.48 129.82 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -91.99 158.76 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -153.79 139.55 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -144.13 148.18 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.606 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -100.81 122.5 43.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 t -134.61 133.71 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.5 p -91.31 25.44 2.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.1 m -134.31 173.76 11.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.542 ' HA ' ' CZ2' ' A' ' 39' ' ' TRP . 17.2 mt -94.37 24.34 4.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -152.52 141.31 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -143.55 137.06 28.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.519 HG23 ' CD1' ' A' ' 30' ' ' LEU . 6.7 m -99.27 108.31 20.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -80.82 98.91 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.1 p -100.59 147.87 25.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.08 48.46 4.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD21 ' HB1' ' A' ' 82' ' ' ALA . 2.1 mt -110.28 178.37 4.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -97.59 136.78 21.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.411 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.6 Cg_endo -69.74 158.8 55.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 15.6 p30 46.55 35.83 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 m -143.19 127.56 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.474 ' HB2' HG23 ' A' ' 113' ' ' THR . 14.3 tmm? -104.29 152.97 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 -175.43 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.554 ' HB2' HG21 ' A' ' 109' ' ' THR . 0.7 OUTLIER -113.0 126.13 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.619 ' CD2' HG21 ' A' ' 37' ' ' VAL . 5.9 m-85 -113.22 150.22 32.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.68 170.8 18.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 17.2 t -142.68 153.03 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 9.9 ptm -149.32 -175.05 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.83 146.59 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -128.69 101.81 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 100' ' ' ASN . 27.1 ttmt -121.32 155.85 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 99' ' ' LYS . 8.3 m120 59.05 30.5 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 6.8 mmp_? 63.99 25.45 13.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 7.3 ptp180 -138.26 148.49 44.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -97.52 149.07 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 78.4 p -96.71 -82.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.563 HG23 ' HG3' ' A' ' 21' ' ' PRO . 12.3 t -176.19 170.81 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 76.1 m95 -93.11 140.53 29.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.441 ' OG ' HG21 ' A' ' 25' ' ' VAL . 88.8 p -79.4 -178.19 6.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.8 ptm -48.33 122.34 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.554 HG21 ' HB2' ' A' ' 92' ' ' GLU . 53.6 m -74.69 141.73 44.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.23 170.55 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -135.18 135.18 40.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.99 121.76 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 90' ' ' MET . 1.0 OUTLIER -87.4 150.01 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.6 p -92.8 146.79 23.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -57.43 139.32 53.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.08 106.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -38.01 155.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.2 t -115.78 102.33 9.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -159.08 -75.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -178.6 2.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t 46.11 33.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.8 t -92.54 -47.09 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -160.63 146.6 14.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -124.57 -51.81 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.62 157.56 30.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -117.65 164.69 14.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -69.93 159.5 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.42 107.78 1.26 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.432 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.556 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 29.6 p90 -124.56 97.77 38.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 54.1 Cg_endo -69.76 132.25 22.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.36 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.8 p -53.4 153.76 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER 63.02 51.95 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 11' ' ' SER . 2.4 p -36.28 119.93 0.72 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.722 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 135.39 30.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.1 m-20 -104.54 87.61 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 14' ' ' ASP . 5.0 mp -141.13 123.89 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.1 m -77.31 127.51 32.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.3 p -135.04 146.08 57.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.68 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 19' ' ' MET . 54.2 Cg_endo -69.7 -167.07 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.386 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 18' ' ' PRO . 17.0 mtp -34.7 149.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -102.27 107.91 55.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HG3' HG12 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.77 170.75 15.84 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.91 175.63 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.65 30.32 27.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -57.31 106.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -110.25 141.4 43.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.35 99.11 6.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' ARG . 38.2 t -91.89 137.33 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 113.39 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.721 ' CD1' HG23 ' A' ' 81' ' ' THR . 7.8 mt -78.16 -52.55 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.875 HG22 ' CB ' ' A' ' 34' ' ' ALA . 2.8 t -146.68 176.58 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -49.49 -37.61 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.827 ' H ' HG23 ' A' ' 31' ' ' THR . 6.1 p-10 -118.37 42.16 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.875 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -156.14 145.72 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 93' ' ' PHE . 5.5 t -154.45 114.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HB2' HD21 ' A' ' 30' ' ' LEU . 11.1 tpp180 -91.69 100.61 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' CD2' ' A' ' 93' ' ' PHE . 99.8 t -87.52 112.34 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 p -119.37 132.83 55.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.683 ' CD2' HG21 ' A' ' 95' ' ' VAL . 36.7 p90 -130.39 -177.56 4.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.92 141.97 50.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -104.84 108.89 20.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -99.79 29.15 4.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -110.34 21.0 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.493 HG23 ' HD2' ' A' ' 45' ' ' PRO . 5.7 p -143.98 134.52 12.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 44' ' ' VAL . 53.2 Cg_endo -69.8 156.49 63.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -48.34 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -98.72 118.95 36.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -171.73 142.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -49.34 176.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.36 130.55 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -74.77 174.41 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 99' ' ' LYS . 5.2 tp10 -69.9 153.51 43.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.33 141.86 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.13 -179.56 8.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 74' ' ' ASP . 3.3 tp -147.9 134.25 19.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.86 125.98 51.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 m -104.36 146.84 28.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.3 t -131.94 121.84 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -122.03 151.61 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.633 ' CZ2' ' HD2' ' A' ' 71' ' ' LYS . 42.0 p90 -160.62 145.91 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.584 ' HG2' ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -163.36 154.65 16.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 15.9 p -40.41 120.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.439 ' OG ' ' CE2' ' A' ' 64' ' ' PHE . 48.0 t -80.68 114.14 19.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' OG ' ' A' ' 63' ' ' SER . 22.5 m-85 69.37 54.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -128.94 168.91 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -60.09 178.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ALA . 38.6 t -37.86 100.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.94 156.43 32.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -100.84 127.25 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.584 ' CE2' ' HG2' ' A' ' 61' ' ' ARG . 10.5 m-85 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 11.6 ttmm -81.28 158.59 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.8 p -149.56 132.97 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -141.91 135.83 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.475 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -88.08 141.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.6 t -155.22 133.66 11.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.3 p -96.57 35.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.9 m -140.62 165.76 26.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.0 mt -92.33 27.65 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.5 p -160.33 128.82 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -131.38 140.7 49.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.721 HG23 ' CD1' ' A' ' 30' ' ' LEU . 17.6 m -107.88 107.33 18.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.551 ' O ' HD11 ' A' ' 85' ' ' LEU . . . -81.95 98.86 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 58.9 p -97.64 154.83 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.9 52.91 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD11 ' O ' ' A' ' 82' ' ' ALA . 2.9 mt -113.17 175.77 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.384 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -86.91 134.97 35.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.459 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 53.4 Cg_endo -69.81 149.59 66.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 11.4 p30 50.78 35.03 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -136.47 126.29 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.453 ' SD ' ' ND1' ' A' ' 111' ' ' HIS . 12.6 tmm? -100.22 148.54 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.2 -173.1 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' TRP . 35.4 mt-10 -100.35 140.98 33.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.703 ' CD2' HG21 ' A' ' 37' ' ' VAL . 77.9 m-85 -132.5 138.53 47.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -153.43 172.22 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.683 HG21 ' CD2' ' A' ' 39' ' ' TRP . 59.9 t -145.0 150.3 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.592 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 13.6 ptm -148.48 -178.5 6.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.5 p -147.31 136.59 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 102' ' ' ARG . 96.7 m -114.93 97.86 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 6.6 ttmm -126.09 154.92 42.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.33 42.29 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 10.1 tpp180 52.37 44.46 29.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.421 ' C ' HG23 ' A' ' 98' ' ' THR . 0.3 OUTLIER -162.41 148.26 12.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 p -101.85 139.85 36.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.431 ' CB ' ' CB ' ' A' ' 19' ' ' MET . 7.0 p -86.84 -174.34 4.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 t -90.22 165.68 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' SD ' ' A' ' 96' ' ' MET . 68.8 m95 -87.41 133.76 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.3 t -78.33 172.94 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.805 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 ptm -41.43 138.16 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.7 m -80.94 136.83 36.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -105.66 117.46 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.453 ' ND1' ' SD ' ' A' ' 90' ' ' MET . 3.4 m-70 -89.15 131.7 35.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.04 114.4 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -84.83 142.59 29.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.4 p -82.31 165.18 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -76.23 147.87 38.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.48 108.45 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -36.89 150.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.6 t -79.55 -50.53 10.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 162.53 -174.59 38.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.9 19.7 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.2 m -106.01 135.89 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.8 p -68.95 -26.1 64.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -139.63 163.01 33.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -169.23 148.05 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.75 163.51 11.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -144.98 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -100.23 -54.96 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . 63.68 165.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 40.4 m-85 -166.79 110.7 0.67 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 53.6 Cg_endo -69.79 165.58 30.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.3 m -97.67 127.01 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 t -126.76 -179.25 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 12' ' ' VAL . 50.2 t 62.53 54.94 2.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 111.083 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 12' ' ' VAL . 53.8 Cg_endo -69.81 134.59 28.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.13 134.73 53.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -138.36 123.21 18.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' THR . 42.1 m -112.43 41.35 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 16' ' ' SER . 24.1 p -157.31 152.27 21.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.722 . . . . 0.0 111.136 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.48 2.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.236 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.479 ' HE1' ' HB3' ' A' ' 99' ' ' LYS . 91.9 mmm -96.09 152.05 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.94 118.68 16.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 162.5 41.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.615 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.2 Cg_endo -69.78 172.97 11.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.751 2.301 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.0 -178.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.99 34.8 16.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.438 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG21 ' OG ' ' A' ' 107' ' ' SER . 5.2 t -64.94 124.9 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.54 132.39 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.02 99.39 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' ARG . 57.6 t -91.4 139.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.51 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD11 ' NH1' ' A' ' 36' ' ' ARG . 12.8 mt -77.78 -53.24 7.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.973 HG22 ' HB3' ' A' ' 34' ' ' ALA . 5.9 t -147.92 176.29 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -53.3 -28.44 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.901 ' H ' HG23 ' A' ' 31' ' ' THR . 78.7 m-20 -125.22 41.58 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.973 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -160.1 146.37 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -153.51 119.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.654 ' NH1' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -92.4 105.48 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 93' ' ' PHE . 58.9 t -93.31 105.55 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.1 p -112.24 131.4 55.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 95' ' ' VAL . 48.9 p90 -130.76 -179.89 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -109.46 162.33 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -116.41 97.51 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -111.31 33.15 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.8 t -114.27 25.56 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.3 129.58 6.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -77.48 -41.46 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -132.31 124.45 28.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.598 ' H ' ' NE2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -145.97 144.03 29.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -82.52 -58.79 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p -72.93 134.0 44.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -122.62 91.36 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -89.16 126.7 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.54 149.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -139.82 134.04 31.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 74' ' ' ASP . 10.6 tp -113.26 141.6 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -114.51 131.55 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.9 m -111.84 146.56 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -124.37 128.64 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.592 ' HD2' ' CZ2' ' A' ' 106' ' ' TRP . 6.6 ptm180 -128.26 140.03 52.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 40.2 p90 -147.82 130.1 15.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.588 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 2.5 tmm_? -136.63 142.71 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.402 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 19.2 p -39.55 145.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.7 p -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 61.1 42.85 11.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -94.52 163.1 13.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.38 -54.86 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.5 p -144.96 109.68 5.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.572 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -154.29 155.18 34.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.08 159.34 15.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 11.3 m-85 -93.78 136.4 34.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 23.3 tttt -91.5 161.11 15.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.447 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 69.3 p -155.2 134.24 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 72' ' ' SER . 6.2 mp0 -139.97 133.62 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.536 ' HB2' HD11 ' A' ' 55' ' ' LEU . 6.2 p-10 -89.03 121.31 31.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 t -145.56 144.93 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.6 p -90.69 -31.08 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.0 m -65.16 155.18 35.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.29 31.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 p -161.03 129.55 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -127.72 144.45 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 30' ' ' LEU . 8.3 m -108.75 113.9 27.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.557 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -86.4 96.13 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.8 p -95.78 150.85 19.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.0 49.59 5.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD21 ' HB1' ' A' ' 82' ' ' ALA . 6.4 mt -110.1 172.74 6.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 89' ' ' THR . 18.9 ttpt -88.85 136.01 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.8 Cg_endo -69.72 154.44 67.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.391 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 13.4 p30 48.78 31.97 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.402 HG21 ' HE2' ' A' ' 86' ' ' LYS . 5.1 m -135.48 127.68 30.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.423 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 66.7 ttp -102.13 153.38 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -138.5 176.27 8.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.713 ' HG3' HG23 ' A' ' 109' ' ' THR . 2.3 tt0 -100.81 125.11 47.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.406 ' CD2' HG21 ' A' ' 37' ' ' VAL . 41.6 m-85 -111.38 147.3 35.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -154.33 151.04 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.615 HG12 ' HG3' ' A' ' 22' ' ' PRO . 39.3 t -125.82 144.51 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.581 ' SD ' ' CZ2' ' A' ' 106' ' ' TRP . 22.3 ptm -142.42 -177.9 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 p -136.93 141.39 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -129.14 95.58 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.479 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 0.1 OUTLIER -126.07 153.22 44.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 8.9 m-20 68.61 38.39 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 54.3 38.93 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -154.06 141.9 20.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB2' ' CE ' ' A' ' 96' ' ' MET . 3.6 p -101.11 144.22 30.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.7 t -76.51 163.05 27.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.592 ' CZ2' ' HD2' ' A' ' 59' ' ' ARG . 78.6 m95 -89.26 143.42 26.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.412 ' OG ' HG21 ' A' ' 25' ' ' VAL . 79.9 p -70.55 -174.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -55.69 155.88 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.713 HG23 ' HG3' ' A' ' 92' ' ' GLU . 18.8 m -85.87 135.16 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.66 113.78 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -88.09 138.81 31.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.44 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.8 m -76.01 152.27 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 p -90.42 169.42 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.71 107.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -40.49 155.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.3 t -170.28 170.72 7.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.72 120.9 4.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -2.45 10.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.25 155.71 36.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.7 t -141.76 151.94 43.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -84.83 -49.6 8.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t 67.4 42.29 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.22 155.29 30.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -113.68 -59.67 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -163.92 173.23 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.26 108.04 1.97 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -129.27 127.39 23.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 148.48 64.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 67.33 45.65 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -68.04 161.04 27.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -44.53 143.78 1.97 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.53 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.07 42.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.627 HD13 HD21 ' A' ' 20' ' ' LEU . 73.6 mt 38.94 39.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 t -65.69 -42.48 91.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.5 p -41.38 149.09 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 5.27 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' HB3' ' A' ' 104' ' ' SER . 48.5 mmm -112.11 178.09 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.627 HD21 HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -158.32 115.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.921 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.58 ' HG3' HG23 ' A' ' 105' ' ' THR . 53.8 Cg_endo -69.77 171.16 14.99 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.71 179.83 3.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.91 -177.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.32 50.83 6.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.23 120.94 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -123.47 125.17 44.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.96 100.62 10.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' ARG . 40.5 t -88.41 135.15 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.49 110.18 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 36' ' ' ARG . 15.7 mt -81.01 -53.52 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.942 HG22 ' HB3' ' A' ' 34' ' ' ALA . 1.9 t -148.27 176.2 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -47.69 -43.84 26.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.721 ' H ' HG23 ' A' ' 31' ' ' THR . 62.9 m-20 -114.28 41.62 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.942 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -154.47 141.07 18.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.456 HG12 HG23 ' A' ' 37' ' ' VAL . 6.9 t -153.54 119.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.8 tpt180 -94.27 94.69 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.82 HG21 ' CD2' ' A' ' 93' ' ' PHE . 92.9 t -85.75 105.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -113.12 154.58 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.688 ' CE3' HG21 ' A' ' 95' ' ' VAL . 49.6 p90 -148.95 -175.11 4.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.5 156.58 41.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -113.46 126.68 55.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' VAL . 1.8 m-80 -114.07 -48.39 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' ASN . 42.3 t -35.96 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ASN . 7.1 p -53.13 120.0 18.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.65 40.63 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 47' ' ' ASN . 15.8 pttp -62.32 -45.86 91.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 4.7 p-10 -97.22 44.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.43 ' OE1' ' C ' ' A' ' 48' ' ' GLN . 1.7 tm0? -39.67 122.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -105.04 -57.45 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 p -94.93 129.55 41.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.418 ' HA ' ' NE2' ' A' ' 48' ' ' GLN . 6.9 t -78.82 80.17 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.78 135.12 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.581 HG22 ' H ' ' A' ' 54' ' ' ARG . 8.4 p -89.29 168.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.581 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -175.16 171.93 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 74' ' ' ASP . 1.6 tp -136.27 147.52 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.458 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.2 m-85 -112.41 125.43 54.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.3 m -106.37 148.73 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.7 117.26 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 1.0 OUTLIER -114.94 144.35 43.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.443 ' CZ2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p90 -153.37 156.74 38.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.597 ' HG2' ' CE1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -172.27 152.02 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.503 ' O ' ' NE ' ' A' ' 61' ' ' ARG . 3.3 p -34.6 135.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -95.47 122.06 37.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 71.13 46.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -136.69 145.96 45.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.6 157.78 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t 60.17 52.61 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.85 156.91 43.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.39 150.01 27.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 5.6 m-85 -95.34 110.99 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 44.5 tttt -75.99 165.24 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.921 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -159.53 138.67 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -137.8 148.74 45.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.749 ' HB3' HD11 ' A' ' 55' ' ' LEU . 78.3 m-20 -106.39 126.72 52.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -136.98 145.96 44.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -97.3 13.95 27.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 m -120.28 166.87 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -90.34 30.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.8 p -164.81 129.92 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -123.02 143.91 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 m -108.5 104.69 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.795 ' HB1' HD21 ' A' ' 85' ' ' LEU . . . -77.61 98.63 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.1 p -98.81 141.78 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.07 49.05 4.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.795 HD21 ' HB1' ' A' ' 82' ' ' ALA . 3.7 mt -106.95 179.11 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -93.59 136.0 24.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.569 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 53.7 Cg_endo -69.77 153.6 68.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 2.7 p-10 47.31 34.86 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 m -138.81 124.72 19.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 91' ' ' TYR . 41.2 ttp -100.05 153.0 19.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.44 ' N ' ' HG2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -138.13 -178.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HG3' ' CG2' ' A' ' 109' ' ' THR . 1.9 tt0 -103.29 125.43 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.82 ' CD2' HG21 ' A' ' 37' ' ' VAL . 59.5 m-85 -115.39 141.14 48.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.94 158.28 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.688 HG21 ' CE3' ' A' ' 39' ' ' TRP . 23.5 t -128.53 155.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.492 ' HG2' ' CZ3' ' A' ' 106' ' ' TRP . 11.7 ptm -149.13 -177.33 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.409 HG13 ' CE ' ' A' ' 19' ' ' MET . 10.6 p -136.12 145.68 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 102' ' ' ARG . 77.4 m -130.26 115.15 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 12.9 ttpt -126.38 164.84 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 43.97 32.97 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 22.4 ttt180 62.84 42.7 7.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 98' ' ' THR . 4.9 ptm180 -147.64 152.81 38.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 p -103.13 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.531 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 80.5 p -93.2 -82.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 21' ' ' PRO . 7.1 t -176.72 170.91 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.172 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.492 ' CZ3' ' HG2' ' A' ' 96' ' ' MET . 60.9 m95 -94.02 147.13 23.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.2 p -91.01 -175.87 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 20.9 ptm -44.66 135.04 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.424 ' CG2' ' HG3' ' A' ' 92' ' ' GLU . 6.9 m -79.9 141.96 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.98 123.21 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -94.04 132.81 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -156.79 112.52 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.1 m -84.07 146.17 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.0 p -87.45 151.08 23.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -64.89 131.5 46.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.82 126.72 16.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 87' ' ' PRO . . . -60.19 144.74 49.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 t -94.0 108.53 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -115.37 -94.72 1.96 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -27.91 26.02 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.4 t -92.48 146.03 24.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -162.26 120.82 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -101.64 167.83 9.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -72.22 -59.49 2.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.01 138.37 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 p -137.17 159.53 41.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -85.91 40.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.92 -168.42 8.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -114.61 78.59 5.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.699 0.762 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' THR . 54.1 Cg_endo -69.8 174.38 9.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.384 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PRO . 71.4 p 35.24 53.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 m -125.42 31.23 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 16.4 t -130.46 137.04 29.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 12' ' ' VAL . 53.9 Cg_endo -69.79 169.03 19.91 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.325 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 43.35 55.05 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.53 -56.45 15.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -118.1 -45.98 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.3 p -139.87 151.94 66.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.652 2.234 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.611 ' HE3' HG13 ' A' ' 97' ' ' VAL . 84.3 mmm -148.24 170.4 17.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -137.98 105.19 8.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.571 0.7 . . . . 0.0 110.935 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.16 15.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 177.49 5.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG23 ' H ' ' A' ' 24' ' ' GLY . 2.0 m -134.99 -54.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' H ' HG23 ' A' ' 23' ' ' VAL . . . -75.05 45.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 110' ' ' ALA . 58.6 t -63.4 92.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -103.31 156.3 17.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.92 101.35 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . 61.9 t -91.54 141.03 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.21 111.21 23.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.571 ' CD1' HG23 ' A' ' 81' ' ' THR . 9.9 mt -76.03 -55.8 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 1.04 HG22 ' HB3' ' A' ' 34' ' ' ALA . 5.2 t -147.37 177.05 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -44.5 -45.08 9.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.609 ' H ' HG23 ' A' ' 31' ' ' THR . 19.7 m-20 -115.3 44.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.04 ' HB3' HG22 ' A' ' 31' ' ' THR . . . -157.03 132.81 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.88 114.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.489 ' HB2' HD21 ' A' ' 30' ' ' LEU . 14.7 tpp85 -88.92 102.39 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 93' ' ' PHE . 48.4 t -88.99 113.72 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.4 p -120.73 132.03 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.686 ' CE2' HG11 ' A' ' 95' ' ' VAL . 39.3 p90 -126.9 173.03 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.79 136.3 54.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -87.64 130.83 34.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.1 t-20 -102.35 -43.45 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' ASN . 7.8 t -33.76 -37.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.2 p -86.24 122.62 72.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.77 172.85 11.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.364 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -33.68 -56.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -137.99 121.23 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -174.22 141.24 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -117.45 118.18 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p -112.3 129.9 56.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -98.2 41.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -115.0 116.54 28.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.08 153.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -160.98 165.27 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 74' ' ' ASP . 2.9 tp -148.3 144.64 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.407 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 12.7 m-85 -117.32 133.69 55.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.4 m -109.22 145.15 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.4 t -126.6 123.98 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 37.6 ptt85 -126.64 144.56 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.579 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 38.8 p90 -150.9 131.23 13.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.88 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -133.42 144.26 49.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.6 p -44.09 130.33 6.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -87.26 132.85 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 61.15 36.72 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -115.38 159.57 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -63.8 175.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' ALA . 45.4 m -38.21 97.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.88 ' HB3' ' HD3' ' A' ' 61' ' ' ARG . . . -123.56 144.19 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 161.85 30.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ARG . 7.2 m-85 -108.19 140.04 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HD3' ' CZ2' ' A' ' 60' ' ' TRP . 11.7 tttp -96.42 157.31 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 64.9 p -157.29 139.87 14.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.86 170.4 15.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.662 ' HB2' HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -120.49 125.43 47.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 138.57 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.4 p -93.61 30.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.5 m -140.4 161.88 36.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.68 34.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.8 p -163.49 137.44 5.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -137.22 143.07 42.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' CD1' ' A' ' 30' ' ' LEU . 7.4 m -104.29 114.99 29.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' ALA . . . -92.46 92.79 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.2 p -95.52 150.23 20.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.48 50.87 5.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.8 mt -111.54 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.577 ' HD2' HG21 ' A' ' 89' ' ' THR . 1.9 ttmp? -82.04 131.49 56.55 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.453 ' O ' ' CG ' ' A' ' 88' ' ' ASN . 54.4 Cg_endo -69.7 154.41 67.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.387 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 87' ' ' PRO . 20.1 p30 48.76 31.11 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.577 HG21 ' HD2' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -133.13 138.14 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.441 ' C ' ' CD1' ' A' ' 91' ' ' TYR . 55.8 ttp -111.77 151.61 28.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -141.93 176.13 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.659 ' HB2' HG21 ' A' ' 109' ' ' THR . 3.6 pt-20 -101.76 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 60' ' ' TRP . 61.9 m-85 -114.39 134.35 55.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -127.46 177.78 6.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.686 HG11 ' CE2' ' A' ' 39' ' ' TRP . 92.7 t -151.26 145.36 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -148.72 -179.97 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.611 HG13 ' HE3' ' A' ' 19' ' ' MET . 7.1 p -141.22 145.98 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.7 m -125.4 102.22 7.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 18.8 ttpt -125.34 152.03 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.455 ' C ' ' HD2' ' A' ' 101' ' ' ARG . 15.2 m120 61.85 55.02 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' HD2' ' C ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER 39.86 38.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -155.56 141.0 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -96.28 153.96 17.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p -106.21 -174.91 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.0 t -82.86 158.94 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.401 ' CH2' ' HD3' ' A' ' 59' ' ' ARG . 74.8 m95 -80.7 155.21 26.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.9 t -99.37 174.69 6.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ptm -45.94 127.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.659 HG21 ' HB2' ' A' ' 92' ' ' GLU . 20.6 m -75.78 146.45 39.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . -111.44 159.72 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -119.48 150.08 40.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.435 ' C ' ' HG3' ' A' ' 90' ' ' MET . . . -167.33 121.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 m -94.42 136.33 34.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.2 p -79.81 158.21 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -67.96 153.93 42.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.0 112.2 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.76 -59.46 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.7 t -41.72 -59.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 155.88 126.7 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 162.04 43.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.7 t -78.19 -51.8 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.1 p -81.6 -71.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 179.97 . . . . . . . . 0 0 . 1 stop_ save_