data_2ct0_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 2ct0 _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 ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -65.9 167.59 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -110.41 -14.23 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.6 mm -97.18 -49.91 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -13.47 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.16 48.69 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -123.64 139.37 54.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -48.74 125.75 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.2 pp -126.79 170.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.25 -59.0 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -114.51 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.04 -130.79 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -125.65 139.61 53.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.6 t -126.4 160.66 29.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -110.21 130.59 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -85.5 -14.91 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -70.39 -51.86 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.23 -47.98 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.61 68.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.3 pp -136.66 136.51 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' CB ' HD11 ' A' ' 25' ' ' LEU . 68.3 mtt-85 -99.59 151.54 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.453 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 46.3 mtp -146.3 146.76 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 39.7 m80 -67.48 168.82 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.42 -57.55 12.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 48.5 m -93.41 -43.78 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 79.6 t -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.19 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -51.54 -22.75 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.5 t80 -95.95 -21.57 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 66' ' ' ILE . 23.5 m-85 -118.0 30.77 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.148 0 CA-C-O 120.782 0.242 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -133.0 126.15 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.0 t -48.87 127.05 14.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.72 0.67 5.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CG ' HG21 ' A' ' 36' ' ' ILE . 36.4 t60 -106.41 -71.0 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.82 -31.89 40.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.8 t30 67.76 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -116.56 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -175.29 146.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -89.32 108.91 27.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -31.36 20.95 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -86.47 178.21 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -88.58 167.4 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.473 HD12 ' CD2' ' A' ' 47' ' ' PHE . 49.1 mm -98.06 122.16 55.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.49 ' CD1' HD21 ' A' ' 24' ' ' LEU . 42.0 mm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.84 0.353 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -66.3 167.58 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -112.38 -18.83 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mm -91.54 -43.09 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 p -113.0 -20.18 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.3 m80 66.17 49.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -124.88 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD21 ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -48.8 131.5 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.5 pp -133.83 170.22 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.26 -42.42 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -129.59 121.92 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.67 -144.49 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' OE1' ' CD2' ' A' ' 64' ' ' HIS . 29.2 mm-40 -107.44 152.27 24.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.446 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 60.6 p -137.39 159.75 41.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.83 141.37 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -97.6 -16.45 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -71.6 -61.42 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.6 p -102.96 -46.18 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.81 69.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.62 146.9 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.446 ' NE ' ' HB3' ' A' ' 30' ' ' SER . 19.6 mmt180 -107.99 148.86 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.4 ' HG3' ' C ' ' A' ' 37' ' ' ARG . 36.5 mtp -145.71 132.48 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.454 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 45.8 m80 -54.15 170.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.7 mm? -63.14 -57.76 19.35 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.6 0.714 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.77 -11.39 30.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.3 m -87.05 -37.36 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.76 -45.44 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.74 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -49.91 -23.63 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 9.9 t80 -96.06 -22.94 17.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 22.5 m-85 -120.43 38.1 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.797 0.249 . . . . 0.0 112.297 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -119.9 126.71 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.5 t -49.75 126.55 18.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.76 5.77 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 41.0 t60 -113.27 -64.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.9 p -88.72 -23.3 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 10.2 t-20 72.36 38.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -112.76 160.64 17.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 12.0 t80 -55.43 129.66 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.523 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 7.9 t-105 -61.41 116.87 22.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.584 0.707 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.63 16.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.448 ' CG ' ' H ' ' A' ' 65' ' ' GLU . 33.1 t60 -91.81 179.81 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 9.8 pt-20 -86.15 165.79 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 53' ' ' PRO . 48.5 mm -95.44 124.8 52.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.37 24.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -59.74 166.77 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -115.1 -21.31 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 mm -90.58 -37.74 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -117.93 -19.42 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 68.98 25.6 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -100.54 141.43 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -53.59 135.49 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 2.4 pp -132.56 172.26 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.11 -42.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -143.04 135.38 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.45 -118.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -123.42 147.34 47.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 p -132.39 157.69 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.9 t -106.69 120.94 43.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.11 27.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.8 m -117.55 -58.61 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.542 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -106.92 -47.36 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.36 72.32 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.02 143.12 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' C ' ' HG3' ' A' ' 38' ' ' MET . 10.0 mtp180 -110.58 151.2 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.457 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 32.2 mtp -144.99 131.52 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.417 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 65.3 m80 -53.41 173.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -64.7 -57.58 16.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.77 -14.12 35.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m -83.74 -30.88 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 97.3 t -81.29 -46.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -57.35 -54.51 46.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -49.82 -29.77 8.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 3.0 t80 -89.44 -28.98 19.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CB ' HD12 ' A' ' 66' ' ' ILE . 12.7 m-85 -121.19 39.49 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.799 0.25 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -144.52 122.46 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 43.9 t -48.42 129.33 13.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.75 -9.27 25.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.542 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 32.6 t60 -91.72 -69.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.33 -40.43 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 7.7 t-20 74.94 52.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.94 -63.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -175.72 148.89 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -89.16 108.12 22.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.586 0.707 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -5.42 16.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -117.62 176.13 5.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.3 163.63 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' CB ' ' A' ' 47' ' ' PHE . 40.5 mm -89.9 134.15 32.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 173.08 11.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.9 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.335 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -61.37 164.88 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.27 -9.28 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mm -101.27 -48.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.01 0.67 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m80 49.32 36.29 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -105.78 157.42 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.73 127.73 33.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -119.88 163.74 17.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -126.04 -29.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -151.05 119.68 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.01 -145.34 4.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -105.94 159.29 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 m -144.89 156.96 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.9 t -101.31 131.94 47.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -82.57 -15.97 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.8 m -71.73 -69.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.7 p -88.38 -48.36 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 36.14 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.52 HG23 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -101.77 160.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -122.46 152.33 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.9 mtp -145.84 149.88 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 61.4 m80 -67.23 172.7 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -68.61 -57.74 7.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.76 -11.99 31.97 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 m -87.46 -30.87 20.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.51 HG11 ' CD2' ' A' ' 47' ' ' PHE . 96.8 t -77.58 -47.5 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -58.83 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -47.18 -24.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.61 -24.58 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.51 ' CD2' HG11 ' A' ' 43' ' ' VAL . 22.8 m-85 -119.02 23.86 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.747 0.228 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.427 ' CD ' ' O ' ' A' ' 59' ' ' ASN . 9.1 mmt85 -120.04 138.49 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 12.1 t -64.86 125.23 88.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 5.29 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' HG23 ' A' ' 36' ' ' ILE . 17.7 t60 -116.28 -47.71 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.8 p -120.68 21.05 11.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' CYS . 9.4 m120 31.27 50.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.2 154.31 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.02 123.13 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -60.1 115.65 14.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -67.42 173.31 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.7 171.39 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.27 126.03 37.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 158.51 56.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 18' ' ' CYS . 22.4 mm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 17' ' ' ILE . 13.6 t -72.53 166.28 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -110.28 -15.33 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.83 -54.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.03 -9.98 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.1 m170 60.95 36.41 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -109.21 157.22 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -64.2 134.98 55.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.3 pp -132.11 170.28 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 tt -129.94 -31.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -145.76 127.28 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.28 -140.0 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.484 ' OE1' ' CD2' ' A' ' 64' ' ' HIS . 11.7 mm-40 -115.93 138.21 51.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -117.72 161.69 19.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -108.02 141.3 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -94.3 -18.0 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.7 m -71.49 -60.17 2.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 24.5 p -105.22 -47.0 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.54 70.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -135.61 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -97.16 150.03 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.7 mtp -143.07 151.47 40.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 55.8 m80 -67.44 172.35 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -69.69 -57.45 6.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.73 -12.14 32.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.364 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.7 m -87.08 -36.82 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 82.4 t -70.23 -45.02 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -66.28 -54.55 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -23.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 8.1 t80 -95.32 -23.93 16.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -123.19 31.26 6.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.9 tp60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.76 0.233 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -148.79 121.59 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -46.61 131.13 8.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.83 -3.51 12.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.412 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 57.1 t60 -104.9 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.0 p -82.61 -35.08 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.35 48.3 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -110.21 -60.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -175.16 137.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -84.22 112.92 44.95 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.736 2.29 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' ' OE1' ' A' ' 29' ' ' GLN . 28.8 t60 -72.28 179.26 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 13.0 pt-20 -90.12 167.26 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mm -95.44 127.2 42.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.74 48.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -59.92 166.4 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -113.45 -9.9 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.9 -46.12 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.57 -14.33 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.83 40.3 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.51 135.18 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -126.19 168.57 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.57 -38.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -135.01 -71.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' GLN . . . 44.68 -171.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' CG ' HG21 ' A' ' 43' ' ' VAL . 4.0 mm-40 -92.26 171.11 9.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -146.56 161.15 41.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 t -115.11 133.0 56.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.68 -11.14 29.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.8 m -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -104.06 -48.33 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.32 69.38 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -138.16 144.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -109.59 148.35 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.5 mtp -143.03 163.35 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 38.4 m80 -79.14 171.74 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -68.66 -57.5 8.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.81 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 47.0 m -91.32 -39.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 HG13 ' CD2' ' A' ' 47' ' ' PHE . 90.1 t -71.96 -44.31 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.63 -63.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -48.47 -25.42 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 13.3 t80 -89.44 -24.0 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.513 ' CD2' HG13 ' A' ' 43' ' ' VAL . 22.1 m-85 -121.77 24.18 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.761 0.234 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -117.63 119.88 36.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.0 t -46.86 129.61 8.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.78 -1.18 8.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 20.5 t60 -103.55 -70.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.4 p -81.34 -33.55 32.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.8 t30 66.21 50.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -119.29 -64.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -174.18 135.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -82.47 110.69 23.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -63.97 167.71 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.79 160.38 27.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.5 mm -93.86 126.03 50.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.685 0.755 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.15 22.36 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.716 2.278 . . . . 0.0 112.386 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.99 167.1 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -112.94 -19.28 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.459 ' CG1' ' HE1' ' A' ' 38' ' ' MET . 20.7 mm -91.34 -39.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.87 -19.17 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 68.21 30.47 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -102.15 159.29 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.71 127.16 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 2.4 pp -124.94 176.62 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tp -132.1 -42.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -137.65 127.6 25.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.22 -143.71 5.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -102.72 157.77 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -142.33 160.08 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 t -99.84 122.53 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -83.54 20.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.404 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 87.7 m -114.41 -59.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 13.2 p -101.24 -50.22 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.57 52.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.509 HG23 ' CG ' ' A' ' 57' ' ' HIS . 2.7 pp -118.43 140.85 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -104.43 150.29 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.459 ' HE1' ' CG1' ' A' ' 20' ' ' ILE . 28.8 mtp -145.47 134.89 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.454 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 66.6 m80 -55.83 166.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -62.11 -57.26 24.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 -17.68 37.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.28 . . . . 0.0 112.322 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 50.5 m -81.73 -39.11 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.39 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -51.81 -31.51 27.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -91.0 -21.59 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 14.3 m-85 -125.5 47.79 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 54.5 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.824 0.26 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -107.24 137.37 45.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.9 t -71.15 125.22 91.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 5.23 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.509 ' CG ' HG23 ' A' ' 36' ' ' ILE . 32.0 t60 -111.25 -52.28 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.0 p -117.75 22.99 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' CYS . 2.6 t30 32.19 36.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.3 t70 -101.92 160.44 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.78 122.25 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -53.89 109.94 1.8 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.498 0.666 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.16 9.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -79.46 175.91 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -87.71 162.6 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 mm -93.29 131.3 33.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -45.66 167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -112.71 -18.84 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.4 mm -89.39 -49.5 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -106.23 -19.37 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 65.49 53.55 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -126.43 157.51 38.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.08 122.0 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 2.5 pp -125.61 158.15 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -124.7 -44.0 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -123.79 125.59 44.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.46 -136.42 2.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -109.73 159.79 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -142.06 156.6 45.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -108.99 138.82 44.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.01 -10.75 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -76.59 -60.06 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -104.06 -47.08 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 79.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pp -151.35 154.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -119.22 150.03 40.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.471 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 34.0 mtp -140.66 150.45 43.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 50.2 m80 -66.86 171.08 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.32 -57.84 11.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.584 0.707 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.75 -10.09 27.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.361 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 m -90.29 -33.45 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 61.2 t -76.49 -43.12 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -67.86 -59.99 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -47.44 -21.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -96.39 -24.64 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' ALA . 22.8 m-85 -117.38 32.42 6.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' PHE . 1.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.771 0.238 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mtt85 -139.11 124.26 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.6 t -48.21 131.64 12.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 -3.22 11.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -104.29 -70.37 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 p -81.48 -37.97 27.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.59 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.38 -65.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -174.28 140.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -84.95 110.63 29.64 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.575 0.702 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.51 7.62 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -83.57 -178.45 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.85 169.85 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.67 125.96 38.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 168.21 22.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.483 ' CD1' HD21 ' A' ' 24' ' ' LEU . 25.9 mm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -49.45 165.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -111.78 -22.84 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.0 mm -82.38 -49.32 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.91 -23.11 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.1 m80 70.3 42.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -111.08 134.32 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -43.67 123.83 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -118.13 -174.49 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 tp -130.79 -42.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -129.93 -74.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 46.19 -156.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -106.2 156.78 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 p -132.27 158.22 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.2 t -106.15 129.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.8 27.41 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -116.94 -53.91 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 11.5 p -111.41 -51.43 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.95 56.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -126.71 150.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -118.21 148.22 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.6 mtp -143.21 136.17 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.455 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 31.2 m80 -55.02 161.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -57.25 -56.81 29.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.76 -9.67 26.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 30.8 m -90.08 -30.8 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 81.4 t -77.38 -45.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -59.49 -65.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 -22.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.7 t80 -92.43 -28.58 16.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ALA . 21.6 m-85 -118.64 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.76 0.233 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -133.37 115.62 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.8 t -39.66 127.94 1.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.7 -0.62 7.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 50.3 t60 -105.96 -70.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.8 p -80.44 -34.02 36.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 68.55 47.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.0 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -175.03 136.48 0.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -82.33 111.38 27.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.26 164.12 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.95 166.11 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.5 mm -95.2 126.08 47.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.428 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.3 tttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 24' ' ' LEU . 50.3 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.8 166.99 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -112.64 -18.73 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.17 -45.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -112.64 -18.82 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 m80 72.0 27.84 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 m -104.25 146.25 29.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -54.04 135.93 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.3 pp -134.81 153.66 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.416 HG13 ' CD ' ' A' ' 27' ' ' GLN . 46.4 pt -134.88 -31.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.646 ' NE2' ' H ' ' A' ' 27' ' ' GLN . 1.3 pm0 -122.11 48.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -115.94 173.77 14.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -71.57 166.57 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -145.3 160.67 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.91 135.32 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -93.51 -12.02 30.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -74.42 -59.99 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.6 -49.69 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.86 56.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG23 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -122.48 178.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' CB ' HD12 ' A' ' 25' ' ' LEU . 23.0 mtt85 -141.57 141.68 33.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.8 mtp -140.23 139.48 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.426 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 44.5 m80 -55.81 168.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -62.29 -57.74 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.4 m -91.34 -33.39 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.11 -45.49 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -64.04 -55.57 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -48.12 -25.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -92.18 -26.24 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.409 ' CB ' HD13 ' A' ' 66' ' ' ILE . 18.4 m-85 -116.15 26.18 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.9 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.795 0.248 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -109.88 118.96 37.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.16 133.06 7.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.24 18.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CG ' HG23 ' A' ' 36' ' ' ILE . 27.5 t60 -101.27 -72.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 p -78.58 -38.61 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 70.49 49.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.53 -65.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -174.85 122.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -66.45 111.81 7.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.39 169.56 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.28 163.79 25.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.409 HD13 ' CB ' ' A' ' 47' ' ' PHE . 19.5 mm -93.68 122.84 61.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 175.75 7.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.0 mttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -72.96 163.41 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -110.53 -11.03 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.7 mm -97.65 -45.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.92 -12.04 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.4 m80 57.84 51.89 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -126.19 135.19 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -47.87 121.49 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.497 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 1.7 pp -120.19 173.85 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.36 -44.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -132.37 143.34 49.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.69 -142.38 7.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -100.32 153.41 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 85.9 p -137.0 160.28 39.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 t -114.58 137.31 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.47 -7.63 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -79.17 -57.05 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.7 p -109.13 -42.17 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.54 72.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' ' ND2' ' A' ' 19' ' ' ASN . 2.8 pp -140.75 149.28 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 25.5 mtp85 -112.93 148.84 34.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.47 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 42.0 mtp -143.29 136.49 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 72.6 m80 -57.82 171.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -65.56 -57.24 15.02 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.745 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.7 -13.28 34.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 40.8 m -84.69 -36.85 21.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.32 -46.84 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.3 -51.54 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.21 -27.16 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 6.1 t80 -85.62 -26.87 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.7 m-85 -120.12 28.98 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' CB ' HD12 ' A' ' 66' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.795 0.248 . . . . 0.0 112.385 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 54' ' ' ARG . 17.3 mtm105 -112.35 132.83 54.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.5 t -55.49 129.45 69.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.73 2.24 3.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.596 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 28.1 t60 -109.37 -65.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.4 p -87.91 -27.85 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.71 54.45 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.62 -68.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -172.53 138.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -81.21 111.53 25.26 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -27.99 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -95.46 179.54 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.77 163.16 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.405 HD12 ' CB ' ' A' ' 53' ' ' PRO . 28.0 mm -86.0 129.29 54.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 18' ' ' CYS . 12.4 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.935 0.398 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' O ' HG21 ' A' ' 17' ' ' ILE . 10.3 t -58.84 168.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -115.59 -22.85 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.55 -50.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.33 -12.77 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 68.55 25.05 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -100.58 159.94 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -65.35 129.3 39.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.8 pp -120.85 163.68 17.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 pt -151.74 117.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 70.01 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.65 -151.12 8.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -88.64 151.35 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -138.68 160.95 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 t -115.12 129.99 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -95.67 -7.34 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -78.17 -51.94 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -111.93 -47.3 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.33 67.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.36 148.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -116.64 153.97 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.0 mtp -145.35 148.47 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 49.4 m80 -63.66 167.28 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.528 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.04 -57.37 18.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.76 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 45.5 m -89.04 -37.81 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.2 t -67.64 -45.12 85.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.52 -53.18 55.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -49.69 -25.42 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.8 t80 -95.2 -21.54 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -122.69 32.96 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 48' ' ' GLN . 8.1 tp60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.749 0.229 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -111.67 120.94 43.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.5 t -45.56 130.66 6.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.535 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 1.45 4.42 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -109.44 -69.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -82.26 -30.25 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 60.55 54.47 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.07 -65.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -175.07 129.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -75.37 111.98 16.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.63 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -68.42 170.24 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.63 158.06 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -87.65 126.87 60.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 171.88 13.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 t -61.41 166.74 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.92 -19.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.27 -42.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.49 -23.55 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 73.03 33.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 m -109.39 157.97 18.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -65.2 132.57 49.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.4 pp -129.92 160.17 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 27' ' ' GLN . 7.8 tp -114.46 -44.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' N ' HG22 ' A' ' 26' ' ' ILE . 2.8 tp-100 -137.45 137.84 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.95 -138.12 4.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -102.53 158.14 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 p -145.36 161.48 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 t -116.55 141.6 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -102.35 -6.87 22.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -81.73 -57.29 3.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.39 -44.92 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -138.18 141.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' C ' ' HG3' ' A' ' 38' ' ' MET . 86.9 mtt180 -106.74 155.34 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.471 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 15.0 mtp -145.46 136.41 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 72.3 m80 -56.62 170.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.65 -57.6 16.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.681 0.753 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -15.42 36.99 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.1 m -83.72 -36.48 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 93.1 t -71.5 -41.85 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -67.22 -45.97 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -53.44 -32.44 49.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 9.2 t80 -85.14 -19.36 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.465 ' CD2' HD12 ' A' ' 66' ' ' ILE . 25.0 m-85 -124.16 32.13 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.754 0.231 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -120.01 133.54 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 25.4 t -59.78 127.33 85.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 5.84 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -115.24 -62.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 16.7 p -92.8 -23.88 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 14.7 t-20 71.25 41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' TYR . 4.7 m-20 -117.88 145.51 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 18.5 t80 -36.6 129.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.488 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.9 t-105 -62.42 117.54 31.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -10.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -119.08 -176.36 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -94.94 168.56 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 47' ' ' PHE . 24.4 mm -94.39 131.72 30.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.71 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 18' ' ' CYS . 27.4 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.468 ' N ' HG22 ' A' ' 17' ' ' ILE . 11.6 t -60.78 166.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.95 -11.53 13.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.07 -50.31 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.4 p -105.85 -13.49 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.02 39.86 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.17 150.28 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 124.34 19.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 2.6 pp -125.34 176.33 6.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.81 -57.07 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -123.57 143.87 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.68 -137.06 4.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -111.46 154.89 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 t -144.94 161.86 38.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 t -109.11 132.81 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -86.38 -13.87 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.1 m -72.44 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -49.17 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.24 74.12 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.442 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 2.5 pp -140.92 135.62 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -95.45 151.57 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.442 ' SD ' ' CD1' ' A' ' 36' ' ' ILE . 54.6 mtp -146.65 133.27 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 60.6 m80 -55.48 164.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mm? -60.79 -57.31 27.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.71 -13.67 35.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 44.7 m -86.53 -31.5 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' CE2' ' A' ' 47' ' ' PHE . 88.9 t -75.33 -44.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.98 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -55.43 -17.7 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -93.11 -26.3 17.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CE2' HG12 ' A' ' 43' ' ' VAL . 19.9 m-85 -104.89 9.75 34.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.443 ' C ' ' HD2' ' A' ' 54' ' ' ARG . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.746 0.228 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 2.2 mpt_? -153.74 117.32 4.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.61 127.35 24.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.7 2.79 3.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -112.71 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.8 p -85.36 -25.56 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 54' ' ' ARG . 9.9 t-20 58.16 44.08 19.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.92 -66.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -175.23 138.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -83.32 110.3 23.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.85 22.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -112.53 173.31 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -175.41 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.529 HD13 ' CD2' ' A' ' 47' ' ' PHE . 29.1 mm -111.09 121.24 41.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.44 ' CB ' HD12 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.8 -179.89 3.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -62.56 168.52 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -114.56 -27.29 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.4 mm -80.03 -44.02 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.68 -23.82 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 m80 71.09 39.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -114.61 143.94 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.2 tm? -50.91 130.98 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 pp -127.74 167.97 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.5 mt -96.24 -67.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -126.41 -68.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 48.98 -144.84 7.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -102.3 152.77 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -135.77 160.47 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -114.54 136.09 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.38 -15.51 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.8 m -71.65 -58.59 3.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -104.3 -47.49 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.86 41.49 0.77 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -112.31 140.77 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -104.4 151.5 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.404 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 24.0 mtp -144.14 142.15 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 38.1 m80 -59.9 166.13 2.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -61.88 -57.69 22.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.2 Cg_endo -69.78 -12.99 33.98 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.276 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.7 m -87.53 -36.46 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.1 t -67.98 -46.79 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.36 -45.85 82.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -52.55 -25.56 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.4 t80 -95.55 -23.98 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -116.34 35.06 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.721 0.217 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -122.25 119.46 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 54.0 t -48.05 129.84 12.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 5.47 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -115.3 -70.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -80.16 -24.74 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 5.8 t-20 71.81 35.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.9 m-20 -117.75 147.57 42.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 43.4 t80 -35.87 125.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -62.74 114.1 11.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.73 4.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -73.82 173.02 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.14 162.06 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.24 126.49 41.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.78 159.53 53.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mm . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -62.78 167.27 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 -17.4 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.5 mm -90.01 -43.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -115.75 -21.21 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m170 70.65 41.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -114.22 145.22 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.31 127.21 21.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 2.8 pp -127.12 166.8 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.56 -65.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -120.57 113.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.44 -135.22 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -118.14 150.29 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -137.62 161.84 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.11 122.27 44.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -84.01 23.65 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 m -115.03 -57.98 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.2 p -106.3 -47.11 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.32 64.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 2.4 pp -130.63 134.59 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -101.29 149.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 36' ' ' ILE . 28.2 mtp -145.52 132.79 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 67.3 m80 -54.0 168.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -61.76 -57.35 24.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -16.09 37.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 36.5 m -82.12 -38.46 24.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 70.7 t -68.83 -46.77 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.75 72.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -51.98 -29.7 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -92.65 -17.37 24.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -128.05 42.25 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.796 0.249 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -129.71 131.64 46.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.1 t -60.42 129.17 88.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.46 12.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.06 -69.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.57 -35.45 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.69 45.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -106.24 -65.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -175.46 142.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -87.84 110.88 38.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -42.62 3.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -78.09 176.61 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -89.51 164.27 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.59 127.09 49.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.92 25.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tptm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 18' ' ' CYS . 31.5 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' N ' HG22 ' A' ' 17' ' ' ILE . 12.2 t -75.36 167.01 22.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.66 -12.84 12.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.429 ' CG1' ' HE3' ' A' ' 38' ' ' MET . 27.0 mm -93.19 -39.13 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -121.15 -14.35 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.9 m170 62.71 48.68 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -126.12 148.75 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 129.3 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.2 pp -124.56 173.93 8.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -164.27 129.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 61.96 46.15 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.88 -154.57 9.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 65' ' ' GLU . 26.5 mm-40 -92.19 133.98 35.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -127.63 148.28 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.14 124.95 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -92.65 21.43 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.7 m -113.79 -62.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 p -94.23 -49.97 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.61 27.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 pp -113.99 141.3 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' C ' ' HG3' ' A' ' 38' ' ' MET . 9.4 ptp180 -122.64 163.93 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.429 ' HE3' ' CG1' ' A' ' 20' ' ' ILE . 10.5 mtp -141.56 157.66 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 65.1 m80 -65.23 173.84 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.77 -57.25 12.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 -14.09 35.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.5 m -84.79 -38.75 19.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 67' ' ' PRO . 93.2 t -65.97 -50.26 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.54 -51.52 65.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -50.9 -30.11 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -92.46 -18.28 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.404 ' CB ' HD13 ' A' ' 66' ' ' ILE . 17.3 m-85 -125.97 37.86 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.7 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 CA-C-O 120.764 0.235 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.5 139.82 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.8 t -68.32 128.44 93.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.53 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -115.77 -68.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.3 p -83.32 -26.67 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 8.4 t30 74.91 38.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.37 153.61 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 6.2 t80 -44.74 129.09 7.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.563 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.5 t-105 -54.01 113.27 4.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 3.61 2.63 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -131.27 178.23 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 29' ' ' GLN . 22.6 pt-20 -82.14 168.72 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 47' ' ' PHE . 26.2 mm -104.08 121.09 48.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.412 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 HG21 ' CD2' ' A' ' 22' ' ' HIS . 44.3 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.97 166.03 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.475 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -111.74 -18.73 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.97 -42.66 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.83 -18.19 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.401 ' CD2' HG21 ' A' ' 17' ' ' ILE . 1.3 t-80 66.21 31.2 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -100.58 164.49 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -71.67 129.31 38.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.86 162.92 30.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -130.6 -44.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -130.16 119.72 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.24 -139.57 3.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -102.16 137.31 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -121.93 161.97 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.93 117.68 34.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -83.68 30.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.0 m -120.89 -56.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 p -108.5 -47.42 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.52 40.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' HB ' ' ND2' ' A' ' 19' ' ' ASN . 2.4 pp -112.33 144.53 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -116.77 147.9 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.476 ' CB ' HG21 ' A' ' 43' ' ' VAL . 30.3 mtp -139.46 128.68 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 51.0 m80 -48.7 156.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -51.79 -57.0 16.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.7 -16.17 37.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.339 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 37.6 m -85.66 -30.96 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.476 HG21 ' CB ' ' A' ' 38' ' ' MET . 88.4 t -73.67 -46.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -62.99 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -54.13 -32.63 55.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 5.8 t80 -85.42 -24.49 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CD2' HD12 ' A' ' 66' ' ' ILE . 20.6 m-85 -119.44 34.22 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.9 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.715 0.215 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -108.94 128.67 55.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 35.7 t -54.44 127.18 57.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.69 5.49 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.452 ' CG ' HG23 ' A' ' 36' ' ' ILE . 72.2 t60 -116.81 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.26 -26.82 18.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 36.0 t-20 74.71 41.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -117.83 144.38 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -37.89 124.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -57.36 114.24 7.84 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.46 -176.93 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.79 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.576 HD12 ' CD2' ' A' ' 47' ' ' PHE . 15.9 mm -86.08 135.44 37.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HD2' ' CG2' ' A' ' 66' ' ' ILE . 54.1 Cg_endo -69.81 158.35 57.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.868 0.366 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 t -60.8 169.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -111.93 -25.31 9.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -85.32 -48.13 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.79 -19.16 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.9 m80 62.12 50.16 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -121.23 142.31 50.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.47 118.45 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 1.7 pp -123.25 164.83 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 pt -126.58 -29.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -138.03 141.85 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.94 -140.34 6.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -102.95 161.69 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 58.8 p -146.5 150.83 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.03 135.23 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.83 -14.63 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -73.67 -61.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.92 -47.61 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.79 58.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG22 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -126.08 140.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 11.0 mtp85 -101.15 152.01 21.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.6 mtp -145.33 150.08 35.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 56.5 m80 -72.56 159.67 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.1 mm? -56.0 -56.56 29.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.75 -16.92 37.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 35.4 m -83.32 -37.9 22.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.99 -48.47 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.41 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -59.81 -30.84 69.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 15.6 t80 -91.61 -25.22 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CD1' ' CB ' ' A' ' 53' ' ' PRO . 22.8 m-85 -113.14 30.88 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.574 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.808 0.253 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -121.23 126.54 49.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' ASN . 44.3 t -59.52 129.02 86.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.82 5.47 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' CG ' HG22 ' A' ' 36' ' ' ILE . 12.6 t60 -117.56 -46.4 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.8 p -118.76 18.34 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' CYS . 62.0 t30 32.62 35.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 58' ' ' CYS . 16.0 t0 -103.26 153.95 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.12 120.44 6.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -49.3 110.94 1.71 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.19 37.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -105.35 177.97 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.95 171.55 13.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 47' ' ' PHE . 50.8 mm -105.03 126.03 32.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 171.52 14.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 18' ' ' CYS . 35.8 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 11.1 t -77.9 167.22 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.44 -7.42 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.36 -49.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.61 -10.93 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 m80 61.49 34.56 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -103.51 139.33 38.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -49.19 123.77 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -117.39 179.62 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -130.42 -66.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -131.67 98.65 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.69 -136.27 3.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -105.21 136.2 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -118.48 148.62 42.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.92 127.0 43.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -94.11 24.09 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -112.42 -60.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -104.31 -45.65 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 70.85 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.02 150.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -113.71 154.09 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.8 mtp -146.19 141.3 27.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.439 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 37.0 m80 -58.81 164.67 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.6 mm? -60.76 -57.74 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.74 -11.81 31.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.9 m -89.26 -20.81 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.413 HG13 ' CD2' ' A' ' 47' ' ' PHE . 53.3 t -88.62 -47.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.32 -56.39 22.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.04 -40.0 63.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 5.9 t80 -70.02 -34.24 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CD2' HG13 ' A' ' 43' ' ' VAL . 24.8 m-85 -107.12 19.96 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.0 tp60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.836 0.265 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -132.65 117.21 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.5 t -42.95 132.84 3.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.71 6.75 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 55' ' ' CYS . 20.6 t60 -117.91 -68.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.92 -3.44 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 41.3 t30 48.08 38.7 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.43 170.14 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -54.57 130.05 38.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -63.59 114.42 13.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -13.39 34.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -109.55 -179.87 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.98 169.61 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -100.12 126.75 35.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 174.61 9.23 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t 49.8 42.23 23.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p -78.91 176.86 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.33 159.0 32.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -140.45 172.88 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -155.25 124.44 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.64 59.2 0.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -143.57 124.82 14.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.13 94.36 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 p -122.07 101.35 7.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.61 148.39 69.86 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.658 0.742 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.88 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.9 34.22 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.54 51.65 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.48 -50.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -134.52 94.12 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.75 141.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -65.9 167.59 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -110.41 -14.23 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.6 mm -97.18 -49.91 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -13.47 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.16 48.69 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -123.64 139.37 54.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -48.74 125.75 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.2 pp -126.79 170.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.25 -59.0 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -114.51 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.04 -130.79 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -125.65 139.61 53.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.6 t -126.4 160.66 29.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -110.21 130.59 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -85.5 -14.91 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -70.39 -51.86 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.23 -47.98 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.61 68.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.3 pp -136.66 136.51 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' CB ' HD11 ' A' ' 25' ' ' LEU . 68.3 mtt-85 -99.59 151.54 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.453 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 46.3 mtp -146.3 146.76 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 39.7 m80 -67.48 168.82 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.522 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.42 -57.55 12.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 48.5 m -93.41 -43.78 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 79.6 t -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.19 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -51.54 -22.75 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.5 t80 -95.95 -21.57 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 66' ' ' ILE . 23.5 m-85 -118.0 30.77 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.67 136.69 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t 64.83 41.27 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -135.06 165.84 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.49 -60.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -117.83 112.6 38.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.79 54.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.71 2.274 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -133.0 126.15 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.0 t -48.87 127.05 14.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.72 0.67 5.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CG ' HG21 ' A' ' 36' ' ' ILE . 36.4 t60 -106.41 -71.0 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.82 -31.89 40.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.8 t30 67.76 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -116.56 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -175.29 146.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -89.32 108.91 27.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -31.36 20.95 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -86.47 178.21 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -88.58 167.4 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.473 HD12 ' CD2' ' A' ' 47' ' ' PHE . 49.1 mm -98.06 122.16 55.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -100.77 151.77 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -93.48 169.14 10.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -106.21 -179.94 23.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 4.67 2.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 p -88.99 150.46 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.5 t 70.31 44.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.1 p -35.49 128.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -116.65 143.74 45.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.83 148.06 18.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -154.77 164.66 38.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -61.56 91.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.92 -177.2 29.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -66.77 132.52 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -71.72 114.19 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.448 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 31.2 p -129.84 120.0 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . 21.4 m-85 -148.47 152.6 38.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.726 0.774 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.25 31.2 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB2' ' CB ' ' A' ' 11' ' ' TYR . . . -134.08 41.71 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.83 -26.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.75 115.91 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.49 ' CD1' HD21 ' A' ' 24' ' ' LEU . 42.0 mm -94.51 143.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -66.3 167.58 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -112.38 -18.83 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mm -91.54 -43.09 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 p -113.0 -20.18 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.3 m80 66.17 49.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -124.88 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD21 ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -48.8 131.5 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.5 pp -133.83 170.22 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.26 -42.42 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -129.59 121.92 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.67 -144.49 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' OE1' ' CD2' ' A' ' 64' ' ' HIS . 29.2 mm-40 -107.44 152.27 24.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.446 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 60.6 p -137.39 159.75 41.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.83 141.37 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -97.6 -16.45 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -71.6 -61.42 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.6 p -102.96 -46.18 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.81 69.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.62 146.9 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' NE ' ' HB3' ' A' ' 30' ' ' SER . 19.6 mmt180 -107.99 148.86 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.4 ' HG3' ' C ' ' A' ' 37' ' ' ARG . 36.5 mtp -145.71 132.48 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.454 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 45.8 m80 -54.15 170.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.7 mm? -63.14 -57.76 19.35 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.6 0.714 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.77 -11.39 30.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.3 m -87.05 -37.36 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.76 -45.44 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.74 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -49.91 -23.63 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 9.9 t80 -96.06 -22.94 17.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 22.5 m-85 -120.43 38.1 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -109.06 -28.94 8.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p -93.03 -34.19 13.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -86.66 157.27 19.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.11 -53.48 6.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -99.85 114.66 65.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -119.9 126.71 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.5 t -49.75 126.55 18.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.76 5.77 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 41.0 t60 -113.27 -64.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.9 p -88.72 -23.3 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 10.2 t-20 72.36 38.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -112.76 160.64 17.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 12.0 t80 -55.43 129.66 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.523 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 7.9 t-105 -61.41 116.87 22.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.584 0.707 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.63 16.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' CG ' ' H ' ' A' ' 65' ' ' GLU . 33.1 t60 -91.81 179.81 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 9.8 pt-20 -86.15 165.79 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 53' ' ' PRO . 48.5 mm -95.44 124.8 52.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.37 24.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.28 150.93 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.9 p -131.94 158.12 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.55 167.27 11.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 114.69 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.4 m -159.83 143.38 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.3 p -90.13 41.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.459 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -141.56 172.97 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -151.93 177.51 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.46 -157.15 8.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -154.47 174.0 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -172.14 174.31 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.46 171.28 14.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -85.36 176.25 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -141.62 -177.83 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -80.28 146.91 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -144.56 152.63 53.53 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.656 0.741 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.95 38.3 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.94 49.9 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 16' ' ' LYS . 11.2 m -137.32 -178.35 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -31.15 115.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -101.47 146.54 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -59.74 166.77 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -115.1 -21.31 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 mm -90.58 -37.74 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -117.93 -19.42 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 68.98 25.6 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -100.54 141.43 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -53.59 135.49 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 2.4 pp -132.56 172.26 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.11 -42.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -143.04 135.38 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.45 -118.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -123.42 147.34 47.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 p -132.39 157.69 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.9 t -106.69 120.94 43.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.11 27.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.8 m -117.55 -58.61 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.542 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -106.92 -47.36 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.36 72.32 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.02 143.12 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' C ' ' HG3' ' A' ' 38' ' ' MET . 10.0 mtp180 -110.58 151.2 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.457 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 32.2 mtp -144.99 131.52 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.417 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 65.3 m80 -53.41 173.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -64.7 -57.58 16.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.77 -14.12 35.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m -83.74 -30.88 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 97.3 t -81.29 -46.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -57.35 -54.51 46.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -49.82 -29.77 8.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 3.0 t80 -89.44 -28.98 19.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CB ' HD12 ' A' ' 66' ' ' ILE . 12.7 m-85 -121.19 39.49 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -106.12 129.43 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 3.2 m 47.11 53.49 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -146.61 156.2 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . . . -57.82 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' ALA . 46.3 mm-40 -33.07 126.71 0.4 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.75 67.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -144.52 122.46 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 43.9 t -48.42 129.33 13.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.75 -9.27 25.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.542 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 32.6 t60 -91.72 -69.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.33 -40.43 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 7.7 t-20 74.94 52.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.94 -63.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -175.72 148.89 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -89.16 108.12 22.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.586 0.707 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -5.42 16.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -117.62 176.13 5.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.3 163.63 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' CB ' ' A' ' 47' ' ' PHE . 40.5 mm -89.9 134.15 32.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 173.08 11.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.25 133.6 48.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -89.3 125.66 35.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.31 173.42 39.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -2.81 10.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.236 . . . . 0.0 112.294 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -67.52 166.4 14.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 m -158.95 167.98 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -174.18 176.49 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -77.84 169.05 18.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.33 91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -105.53 133.61 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -92.61 119.76 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.26 128.51 4.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -112.36 100.01 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 10.3 pt-20 -98.05 -33.44 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 9' ' ' GLU . 16.9 p -31.68 128.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CE1' ' O ' ' A' ' 9' ' ' GLU . 1.9 m-85 -112.11 153.06 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.93 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.401 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -7.02 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' HB3' ' CG ' ' A' ' 11' ' ' TYR . . . -84.23 30.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 24' ' ' LEU . 10.0 m -134.86 -171.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -65.86 95.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.9 mm -112.41 141.62 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -61.37 164.88 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.27 -9.28 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mm -101.27 -48.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.01 0.67 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m80 49.32 36.29 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -105.78 157.42 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 ' CD2' HG21 ' A' ' 15' ' ' VAL . 1.1 tm? -69.73 127.73 33.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -119.88 163.74 17.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -126.04 -29.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -151.05 119.68 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.01 -145.34 4.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -105.94 159.29 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 m -144.89 156.96 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.9 t -101.31 131.94 47.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -82.57 -15.97 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.8 m -71.73 -69.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.7 p -88.38 -48.36 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 36.14 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.52 HG23 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -101.77 160.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 59.7 mtt180 -122.46 152.33 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.9 mtp -145.84 149.88 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 61.4 m80 -67.23 172.7 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -68.61 -57.74 7.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.76 -11.99 31.97 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 m -87.46 -30.87 20.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.51 HG11 ' CD2' ' A' ' 47' ' ' PHE . 96.8 t -77.58 -47.5 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -58.83 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -47.18 -24.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.61 -24.58 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.51 ' CD2' HG11 ' A' ' 43' ' ' VAL . 22.8 m-85 -119.02 23.86 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 tt0 -113.04 -33.44 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -76.4 -43.7 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -90.97 178.17 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.81 -64.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.15 111.36 40.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 124.32 10.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.427 ' CD ' ' O ' ' A' ' 59' ' ' ASN . 9.1 mmt85 -120.04 138.49 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 12.1 t -64.86 125.23 88.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 5.29 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.52 ' CG ' HG23 ' A' ' 36' ' ' ILE . 17.7 t60 -116.28 -47.71 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.8 p -120.68 21.05 11.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' CYS . 9.4 m120 31.27 50.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.2 154.31 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.02 123.13 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -60.1 115.65 14.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -67.42 173.31 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.7 171.39 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.27 126.03 37.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 158.51 56.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -115.41 -63.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.3 m -117.83 164.01 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.85 162.33 42.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.58 54.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.6 p -53.27 -44.37 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 p -149.12 130.52 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.518 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -83.05 177.86 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.381 . . . . 0.0 110.809 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 61.73 43.14 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.07 68.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -90.0 128.78 36.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -68.11 138.55 55.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.76 -146.17 13.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mmt-85 -46.03 103.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.57 162.83 27.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 7.4 t -106.72 156.96 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 1.6 m-85 -135.12 154.74 79.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -43.58 2.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.7 -10.29 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' CG ' ' A' ' 11' ' ' TYR . . . -81.95 33.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG11 ' C ' ' A' ' 14' ' ' ALA . 5.9 m -154.21 -175.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.59 99.11 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 18' ' ' CYS . 22.4 mm -113.88 154.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 17' ' ' ILE . 13.6 t -72.53 166.28 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -110.28 -15.33 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.83 -54.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.03 -9.98 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.1 m170 60.95 36.41 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -109.21 157.22 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -64.2 134.98 55.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.3 pp -132.11 170.28 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 tt -129.94 -31.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -145.76 127.28 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.28 -140.0 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.484 ' OE1' ' CD2' ' A' ' 64' ' ' HIS . 11.7 mm-40 -115.93 138.21 51.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -117.72 161.69 19.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -108.02 141.3 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -94.3 -18.0 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.7 m -71.49 -60.17 2.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 24.5 p -105.22 -47.0 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.54 70.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -135.61 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -97.16 150.03 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.7 mtp -143.07 151.47 40.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 55.8 m80 -67.44 172.35 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -69.69 -57.45 6.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.73 -12.14 32.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.364 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.7 m -87.08 -36.82 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 82.4 t -70.23 -45.02 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -66.28 -54.55 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -23.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 8.1 t80 -95.32 -23.93 16.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -123.19 31.26 6.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.9 tp60 -101.61 133.5 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t 65.35 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -134.47 175.53 9.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.53 -64.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.21 120.81 29.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 156.99 62.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -148.79 121.59 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -46.61 131.13 8.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.83 -3.51 12.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.412 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 57.1 t60 -104.9 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.0 p -82.61 -35.08 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.35 48.3 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -110.21 -60.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -175.16 137.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -84.22 112.92 44.95 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.736 2.29 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' ' OE1' ' A' ' 29' ' ' GLN . 28.8 t60 -72.28 179.26 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 13.0 pt-20 -90.12 167.26 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mm -95.44 127.2 42.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.74 48.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -113.57 151.46 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 t -82.32 151.82 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.77 167.06 49.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.7 7.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 t -170.25 151.7 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.8 p -87.26 162.41 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.493 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -94.88 138.96 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -170.25 146.58 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 107.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -100.28 137.9 38.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -144.45 169.1 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.87 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' GLU . 30.2 ttp180 -50.6 156.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' ARG . 10.9 pt-20 -35.88 133.58 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -134.28 141.36 46.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -143.06 152.61 58.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.651 0.739 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -50.92 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -132.91 45.25 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.85 26.06 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.482 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 3.3 m -131.86 -172.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' N ' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.05 98.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 mm -115.95 144.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -59.92 166.4 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -113.45 -9.9 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.9 -46.12 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.57 -14.33 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.83 40.3 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CD2' ' CG2' ' A' ' 15' ' ' VAL . 0.9 OUTLIER -51.51 135.18 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -126.19 168.57 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.57 -38.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -135.01 -71.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' GLN . . . 44.68 -171.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' CG ' HG21 ' A' ' 43' ' ' VAL . 4.0 mm-40 -92.26 171.11 9.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -146.56 161.15 41.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 t -115.11 133.0 56.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.68 -11.14 29.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.8 m -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -104.06 -48.33 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.32 69.38 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -138.16 144.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -109.59 148.35 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.5 mtp -143.03 163.35 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 38.4 m80 -79.14 171.74 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -68.66 -57.5 8.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.81 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 47.0 m -91.32 -39.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 HG13 ' CD2' ' A' ' 47' ' ' PHE . 90.1 t -71.96 -44.31 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.63 -63.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -48.47 -25.42 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 13.3 t80 -89.44 -24.0 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.513 ' CD2' HG13 ' A' ' 43' ' ' VAL . 22.1 m-85 -121.77 24.18 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 -110.32 -36.8 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 t -74.89 -46.95 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -80.23 174.89 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.85 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.41 116.36 65.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -117.63 119.88 36.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.0 t -46.86 129.61 8.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.78 -1.18 8.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 20.5 t60 -103.55 -70.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.4 p -81.34 -33.55 32.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.8 t30 66.21 50.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -119.29 -64.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -174.18 135.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -82.47 110.69 23.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -63.97 167.71 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.79 160.38 27.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.5 mm -93.86 126.03 50.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.685 0.755 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.15 22.36 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.716 2.278 . . . . 0.0 112.386 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -109.64 144.28 38.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 23.7 p -63.09 133.59 54.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.75 165.96 35.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.23 36.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.2 t -171.07 131.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -144.71 157.14 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -133.29 142.49 48.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -150.41 160.26 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -158.18 15.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -142.97 161.9 36.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -174.94 166.64 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.7 -152.9 8.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -56.57 179.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.302 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.5 176.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -124.08 146.83 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -156.59 143.75 13.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -53.59 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -134.76 44.65 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.08 21.84 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.433 HG23 ' CD2' ' A' ' 24' ' ' LEU . 6.5 m -132.06 -171.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 94.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 mm -111.92 140.76 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.99 167.1 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -112.94 -19.28 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.459 ' CG1' ' HE1' ' A' ' 38' ' ' MET . 20.7 mm -91.34 -39.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.87 -19.17 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 68.21 30.47 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -102.15 159.29 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD2' HG23 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -70.71 127.16 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 2.4 pp -124.94 176.62 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 tp -132.1 -42.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -137.65 127.6 25.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.22 -143.71 5.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -102.72 157.77 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -142.33 160.08 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 t -99.84 122.53 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -83.54 20.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.404 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 87.7 m -114.41 -59.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 13.2 p -101.24 -50.22 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.57 52.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.509 HG23 ' CG ' ' A' ' 57' ' ' HIS . 2.7 pp -118.43 140.85 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -104.43 150.29 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.459 ' HE1' ' CG1' ' A' ' 20' ' ' ILE . 28.8 mtp -145.47 134.89 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.454 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 66.6 m80 -55.83 166.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -62.11 -57.26 24.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 -17.68 37.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.28 . . . . 0.0 112.322 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 50.5 m -81.73 -39.11 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.39 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -51.81 -31.51 27.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -91.0 -21.59 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 14.3 m-85 -125.5 47.79 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -113.02 -18.38 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.8 p -112.3 -64.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.29 155.31 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.06 -63.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -83.35 111.01 27.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 54.5 Cg_endo -69.75 116.71 4.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -107.24 137.37 45.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.9 t -71.15 125.22 91.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 5.23 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.509 ' CG ' HG23 ' A' ' 36' ' ' ILE . 32.0 t60 -111.25 -52.28 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.0 p -117.75 22.99 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' CYS . 2.6 t30 32.19 36.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.3 t70 -101.92 160.44 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.78 122.25 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -53.89 109.94 1.8 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.498 0.666 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.16 9.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -79.46 175.91 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -87.71 162.6 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 mm -93.29 131.3 33.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -126.92 131.1 51.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -76.17 111.0 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.79 169.28 26.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.88 12.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -103.63 119.62 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.9 p -107.21 168.52 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.469 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -164.95 169.5 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -120.4 144.1 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 68.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -103.04 82.24 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -73.84 167.21 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -122.27 0.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.54 152.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -163.97 118.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -174.52 130.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.458 ' CB ' ' HB2' ' A' ' 14' ' ' ALA . 57.5 m-85 -148.17 153.7 41.62 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.14 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.38 -21.84 7.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 11' ' ' TYR . . . -77.37 47.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.7 -33.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -65.79 114.45 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.6 mm -84.79 128.8 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -45.66 167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -112.71 -18.84 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.4 mm -89.39 -49.5 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -106.23 -19.37 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 65.49 53.55 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -126.43 157.51 38.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.08 122.0 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 2.5 pp -125.61 158.15 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -124.7 -44.0 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -123.79 125.59 44.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.46 -136.42 2.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -109.73 159.79 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -142.06 156.6 45.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -108.99 138.82 44.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.01 -10.75 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -76.59 -60.06 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -104.06 -47.08 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 79.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pp -151.35 154.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -119.22 150.03 40.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.471 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 34.0 mtp -140.66 150.45 43.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 50.2 m80 -66.86 171.08 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.32 -57.84 11.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.584 0.707 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.75 -10.09 27.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.361 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 m -90.29 -33.45 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 61.2 t -76.49 -43.12 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -67.86 -59.99 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -47.44 -21.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -96.39 -24.64 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' ALA . 22.8 m-85 -117.38 32.42 6.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 tt0 -42.59 166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' GLN . 5.9 t -30.38 95.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 41.8 p30 -133.33 -175.12 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.49 -52.22 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -140.85 113.01 6.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 151.55 69.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mtt85 -139.11 124.26 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.6 t -48.21 131.64 12.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 -3.22 11.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -104.29 -70.37 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 p -81.48 -37.97 27.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.59 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.38 -65.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -174.28 140.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -84.95 110.63 29.64 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.575 0.702 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.51 7.62 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -83.57 -178.45 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.85 169.85 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.67 125.96 38.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 168.21 22.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.54 157.87 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -75.88 -50.54 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.99 158.25 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.6 m -129.91 113.64 14.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.2 m -120.95 42.56 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.471 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -121.92 165.53 15.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -105.95 165.14 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.56 170.81 9.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 p -132.39 109.66 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.826 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -165.24 155.9 13.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.24 -165.35 11.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -135.48 133.47 38.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.719 0.295 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.29 89.02 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -114.23 145.74 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -143.89 152.01 54.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.714 0.768 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.95 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -133.58 36.69 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.45 45.26 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 18.0 m -134.04 -50.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER 63.07 30.61 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.483 ' CD1' HD21 ' A' ' 24' ' ' LEU . 25.9 mm -53.07 133.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -49.45 165.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -111.78 -22.84 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.0 mm -82.38 -49.32 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.91 -23.11 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.1 m80 70.3 42.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -111.08 134.32 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -43.67 123.83 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -118.13 -174.49 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 tp -130.79 -42.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -129.93 -74.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 46.19 -156.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -106.2 156.78 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 p -132.27 158.22 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.2 t -106.15 129.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.8 27.41 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -116.94 -53.91 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 11.5 p -111.41 -51.43 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.95 56.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -126.71 150.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -118.21 148.22 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.6 mtp -143.21 136.17 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.455 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 31.2 m80 -55.02 161.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -57.25 -56.81 29.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.76 -9.67 26.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 30.8 m -90.08 -30.8 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 81.4 t -77.38 -45.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -59.49 -65.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 -22.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.7 t80 -92.43 -28.58 16.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ALA . 21.6 m-85 -118.64 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tt0 -110.92 -36.09 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -74.5 -42.35 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.6 -179.09 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.14 -59.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -98.2 120.71 59.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 131.1 20.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -133.37 115.62 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.8 t -39.66 127.94 1.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.7 -0.62 7.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 50.3 t60 -105.96 -70.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.8 p -80.44 -34.02 36.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 68.55 47.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.0 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -175.03 136.48 0.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -82.33 111.38 27.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.26 164.12 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.95 166.11 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.5 mm -95.2 126.08 47.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.428 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -118.86 -61.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t -165.69 117.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.72 179.01 4.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.54 47.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.359 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.8 t -39.53 -47.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 m -107.4 112.53 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.491 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -129.44 92.64 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.826 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -150.25 151.89 33.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.11 101.54 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 m -115.55 42.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -61.08 171.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.66 -141.51 7.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -38.33 144.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -88.35 47.25 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.54 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 81.9 p -110.09 130.64 55.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 10' ' ' THR . 44.8 m-85 -154.1 153.15 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.42 -33.83 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.22 68.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.66 172.49 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 mttm 57.55 32.95 22.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 24' ' ' LEU . 50.3 mm -55.28 138.97 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.8 166.99 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -112.64 -18.73 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.17 -45.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -112.64 -18.82 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 m80 72.0 27.84 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 m -104.25 146.25 29.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -54.04 135.93 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.489 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.3 pp -134.81 153.66 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.416 HG13 ' CD ' ' A' ' 27' ' ' GLN . 46.4 pt -134.88 -31.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.646 ' NE2' ' H ' ' A' ' 27' ' ' GLN . 1.3 pm0 -122.11 48.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -115.94 173.77 14.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -71.57 166.57 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -145.3 160.67 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.91 135.32 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -93.51 -12.02 30.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -74.42 -59.99 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.6 -49.69 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.86 56.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG23 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -122.48 178.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' CB ' HD12 ' A' ' 25' ' ' LEU . 23.0 mtt85 -141.57 141.68 33.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.8 mtp -140.23 139.48 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.426 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 44.5 m80 -55.81 168.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -62.29 -57.74 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.4 m -91.34 -33.39 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.11 -45.49 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -64.04 -55.57 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -48.12 -25.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -92.18 -26.24 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.409 ' CB ' HD13 ' A' ' 66' ' ' ILE . 18.4 m-85 -116.15 26.18 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.9 tp60 -103.55 -37.47 7.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.7 p -81.08 -58.64 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -70.09 153.62 42.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.9 -65.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.06 115.15 55.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 108.77 2.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -109.88 118.96 37.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.16 133.06 7.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.24 18.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CG ' HG23 ' A' ' 36' ' ' ILE . 27.5 t60 -101.27 -72.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 p -78.58 -38.61 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 70.49 49.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.53 -65.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -174.85 122.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -66.45 111.81 7.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.39 169.56 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.28 163.79 25.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.409 HD13 ' CB ' ' A' ' 47' ' ' PHE . 19.5 mm -93.68 122.84 61.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 175.75 7.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -103.7 131.05 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -87.98 99.2 11.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.23 -179.96 38.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.88 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -77.47 91.88 3.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.2 p -87.05 -45.3 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.516 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -153.63 177.34 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -146.66 144.43 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.36 160.7 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -137.39 151.04 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -113.51 84.45 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.49 50.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -96.97 -66.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 40.04 50.03 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 p -108.2 130.67 55.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.9 m-85 -129.13 152.56 79.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.679 0.752 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -134.65 46.42 2.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.38 13.93 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 2.2 m -139.39 -174.57 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HE2' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.78 95.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm -117.9 144.53 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -72.96 163.41 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -110.53 -11.03 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.7 mm -97.65 -45.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.92 -12.04 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.4 m80 57.84 51.89 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -126.19 135.19 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -47.87 121.49 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.497 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 1.7 pp -120.19 173.85 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.36 -44.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -132.37 143.34 49.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.69 -142.38 7.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -100.32 153.41 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 85.9 p -137.0 160.28 39.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 t -114.58 137.31 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.47 -7.63 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -79.17 -57.05 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.7 p -109.13 -42.17 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.54 72.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' HB ' ' ND2' ' A' ' 19' ' ' ASN . 2.8 pp -140.75 149.28 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 25.5 mtp85 -112.93 148.84 34.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.47 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 42.0 mtp -143.29 136.49 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 72.6 m80 -57.82 171.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -65.56 -57.24 15.02 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.745 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.7 -13.28 34.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 40.8 m -84.69 -36.85 21.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.32 -46.84 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.3 -51.54 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.21 -27.16 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 6.1 t80 -85.62 -26.87 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.7 m-85 -120.12 28.98 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 -33.7 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -136.48 126.6 26.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -173.43 174.84 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.97 -41.67 12.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -144.35 115.66 5.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' CB ' HD12 ' A' ' 66' ' ' ILE . 54.0 Cg_endo -69.79 126.96 13.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.385 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 54' ' ' ARG . 17.3 mtm105 -112.35 132.83 54.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.5 t -55.49 129.45 69.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.73 2.24 3.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 28.1 t60 -109.37 -65.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.4 p -87.91 -27.85 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.71 54.45 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.62 -68.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -172.53 138.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -81.21 111.53 25.26 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -27.99 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -95.46 179.54 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.77 163.16 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.405 HD12 ' CB ' ' A' ' 53' ' ' PRO . 28.0 mm -86.0 129.29 54.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.72 153.74 24.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.3 p -107.28 91.81 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.51 160.1 33.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.14 13.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.38 166.24 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.5 p -74.77 89.51 2.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.459 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -99.47 91.89 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -96.27 -50.03 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.34 -146.74 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 71.08 43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.915 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -91.57 144.16 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.95 73.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -135.13 140.28 45.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.14 124.06 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.502 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -175.52 135.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CG ' ' HB2' ' A' ' 14' ' ' ALA . 56.4 m-85 -152.8 152.95 29.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.67 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.365 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -125.88 -3.55 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.51 ' HB2' ' CG ' ' A' ' 11' ' ' TYR . . . -92.26 42.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 24' ' ' LEU . 27.4 m -130.61 -173.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -41.3 109.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 15' ' ' VAL . 12.4 mm -104.5 145.0 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' O ' HG21 ' A' ' 17' ' ' ILE . 10.3 t -58.84 168.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -115.59 -22.85 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.55 -50.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.33 -12.77 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 68.55 25.05 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -100.58 159.94 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -65.35 129.3 39.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.8 pp -120.85 163.68 17.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 pt -151.74 117.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 70.01 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.65 -151.12 8.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -88.64 151.35 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -138.68 160.95 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 t -115.12 129.99 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -95.67 -7.34 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -78.17 -51.94 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -111.93 -47.3 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.33 67.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.36 148.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -116.64 153.97 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.0 mtp -145.35 148.47 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 49.4 m80 -63.66 167.28 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.528 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.04 -57.37 18.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.76 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 45.5 m -89.04 -37.81 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.2 t -67.64 -45.12 85.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.52 -53.18 55.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -49.69 -25.42 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.8 t80 -95.2 -21.54 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -122.69 32.96 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 48' ' ' GLN . 8.1 tp60 -110.96 -42.2 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -72.13 -56.63 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -72.12 171.75 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.05 -62.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.71 111.46 29.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -111.67 120.94 43.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.5 t -45.56 130.66 6.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.535 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 1.45 4.42 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -109.44 -69.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -82.26 -30.25 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 60.55 54.47 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.07 -65.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -175.07 129.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -75.37 111.98 16.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.63 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -68.42 170.24 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.63 158.06 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -87.65 126.87 60.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 171.88 13.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -111.74 165.73 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.0 p -94.53 161.67 14.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.33 -176.35 22.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.2 p -81.01 110.77 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 m -67.3 -51.28 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -162.53 139.16 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -133.17 166.25 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.35 139.95 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -129.63 173.29 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -59.18 -41.74 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.81 -110.42 2.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -97.03 151.13 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.07 120.19 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.619 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 15.2 p -145.78 145.46 30.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 10' ' ' THR . 4.2 m-85 -148.01 153.17 41.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.664 0.745 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.79 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.5 -40.77 2.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.2 72.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 11' ' ' TYR . 11.6 m -142.43 -175.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 89.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.9 mm -106.02 140.73 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 t -61.41 166.74 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.92 -19.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.27 -42.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.49 -23.55 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 73.03 33.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 m -109.39 157.97 18.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -65.2 132.57 49.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.4 pp -129.92 160.17 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 27' ' ' GLN . 7.8 tp -114.46 -44.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' N ' HG22 ' A' ' 26' ' ' ILE . 2.8 tp-100 -137.45 137.84 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.95 -138.12 4.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -102.53 158.14 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 p -145.36 161.48 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 t -116.55 141.6 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -102.35 -6.87 22.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -81.73 -57.29 3.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.39 -44.92 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -138.18 141.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' C ' ' HG3' ' A' ' 38' ' ' MET . 86.9 mtt180 -106.74 155.34 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.471 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 15.0 mtp -145.46 136.41 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 72.3 m80 -56.62 170.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.65 -57.6 16.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.681 0.753 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -15.42 36.99 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.1 m -83.72 -36.48 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 93.1 t -71.5 -41.85 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -67.22 -45.97 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -53.44 -32.44 49.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 9.2 t80 -85.14 -19.36 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.465 ' CD2' HD12 ' A' ' 66' ' ' ILE . 25.0 m-85 -124.16 32.13 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -45.06 112.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 48' ' ' GLN . 1.1 t 31.8 47.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' ND2' ' CD1' ' A' ' 47' ' ' PHE . 42.2 p-10 -89.39 166.38 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -68.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -107.33 101.68 40.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 125.59 12.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -120.01 133.54 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 25.4 t -59.78 127.33 85.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 5.84 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -115.24 -62.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 16.7 p -92.8 -23.88 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 14.7 t-20 71.25 41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' TYR . 4.7 m-20 -117.88 145.51 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 18.5 t80 -36.6 129.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.488 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.9 t-105 -62.42 117.54 31.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -10.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -119.08 -176.36 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -94.94 168.56 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 47' ' ' PHE . 24.4 mm -94.39 131.72 30.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.71 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -140.02 128.12 22.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -90.3 118.04 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.77 173.32 39.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.59 60.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.9 p -85.28 -46.83 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.5 p -121.73 -47.47 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.19 -0.784 . . . . 0.0 112.434 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -163.24 165.64 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -158.08 153.66 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 40.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -126.06 87.73 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -87.41 150.87 23.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.17 -93.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -119.38 144.48 46.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -136.83 118.77 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 82.1 p -139.05 138.8 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 10' ' ' THR . 15.0 m-85 -146.67 152.77 45.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -49.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.37 -8.32 5.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.6 38.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG22 ' CE ' ' A' ' 16' ' ' LYS . 15.6 m -130.71 -30.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' CE ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -36.88 111.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 18' ' ' CYS . 27.4 mm -91.74 141.19 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.468 ' N ' HG22 ' A' ' 17' ' ' ILE . 11.6 t -60.78 166.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.95 -11.53 13.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.07 -50.31 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.4 p -105.85 -13.49 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.02 39.86 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.17 150.28 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 124.34 19.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 2.6 pp -125.34 176.33 6.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.81 -57.07 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -123.57 143.87 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.68 -137.06 4.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -111.46 154.89 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 t -144.94 161.86 38.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 t -109.11 132.81 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -86.38 -13.87 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.1 m -72.44 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -49.17 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.24 74.12 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.442 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 2.5 pp -140.92 135.62 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HD2' ' CB ' ' A' ' 16' ' ' LYS . 36.0 mtt180 -95.45 151.57 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.442 ' SD ' ' CD1' ' A' ' 36' ' ' ILE . 54.6 mtp -146.65 133.27 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 60.6 m80 -55.48 164.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mm? -60.79 -57.31 27.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.71 -13.67 35.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 44.7 m -86.53 -31.5 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' CE2' ' A' ' 47' ' ' PHE . 88.9 t -75.33 -44.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.98 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -55.43 -17.7 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -93.11 -26.3 17.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CE2' HG12 ' A' ' 43' ' ' VAL . 19.9 m-85 -104.89 9.75 34.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 144.14 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 t 71.1 32.24 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.6 148.13 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.47 -76.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.19 110.32 3.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.443 ' C ' ' HD2' ' A' ' 54' ' ' ARG . 53.3 Cg_endo -69.78 173.33 11.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 2.2 mpt_? -153.74 117.32 4.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.61 127.35 24.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.7 2.79 3.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -112.71 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.8 p -85.36 -25.56 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 54' ' ' ARG . 9.9 t-20 58.16 44.08 19.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.92 -66.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -175.23 138.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -83.32 110.3 23.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.85 22.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -112.53 173.31 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -175.41 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.529 HD13 ' CD2' ' A' ' 47' ' ' PHE . 29.1 mm -111.09 121.24 41.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.44 ' CB ' HD12 ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.8 -179.89 3.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -134.96 169.9 16.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -116.59 90.43 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.24 170.06 22.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.4 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.7 t -126.32 -56.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.9 m 56.54 42.04 27.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.447 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -94.38 130.78 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -92.45 -52.88 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.25 81.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -122.06 120.18 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 p -40.31 138.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.87 135.82 12.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -84.22 168.62 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -85.42 126.13 33.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.09 132.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -136.91 152.55 74.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.661 0.743 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -134.96 43.06 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.93 36.13 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 24' ' ' LEU . 16.4 m -144.48 -176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 2.6 mppt? -64.53 88.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mm -108.67 140.7 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -62.56 168.52 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -114.56 -27.29 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.4 mm -80.03 -44.02 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.68 -23.82 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 m80 71.09 39.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -114.61 143.94 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 ' CD2' HG21 ' A' ' 15' ' ' VAL . 1.2 tm? -50.91 130.98 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 16' ' ' LYS . 1.4 pp -127.74 167.97 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.5 mt -96.24 -67.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -126.41 -68.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 48.98 -144.84 7.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -102.3 152.77 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -135.77 160.47 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -114.54 136.09 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.38 -15.51 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.8 m -71.65 -58.59 3.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -104.3 -47.49 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.86 41.49 0.77 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -112.31 140.77 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' NH1' ' HG3' ' A' ' 16' ' ' LYS . 51.8 mtt85 -104.4 151.5 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.404 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 24.0 mtp -144.14 142.15 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 38.1 m80 -59.9 166.13 2.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -61.88 -57.69 22.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.2 Cg_endo -69.78 -12.99 33.98 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.276 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.7 m -87.53 -36.46 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.1 t -67.98 -46.79 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.36 -45.85 82.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -52.55 -25.56 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.4 t80 -95.55 -23.98 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -116.34 35.06 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -99.62 141.78 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t 58.46 38.39 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -133.94 161.53 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.09 -43.32 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.9 104.26 33.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 132.9 24.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -122.25 119.46 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 54.0 t -48.05 129.84 12.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 5.47 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -115.3 -70.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -80.16 -24.74 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 5.8 t-20 71.81 35.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.9 m-20 -117.75 147.57 42.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 43.4 t80 -35.87 125.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -62.74 114.1 11.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.73 4.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -73.82 173.02 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.14 162.06 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.24 126.49 41.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.78 159.53 53.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -79.71 175.25 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.4 p -105.33 -20.76 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.3 169.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.29 68.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -63.62 174.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 p -125.92 93.49 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.508 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -114.77 162.28 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -161.07 170.98 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 124.73 1.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -41.98 163.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -161.4 169.29 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.33 127.91 1.04 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -168.16 170.49 10.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.2 113.41 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 67.7 p -136.2 132.69 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 10' ' ' THR . 27.2 m-85 -149.99 152.04 33.31 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.671 0.748 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.327 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.17 34.94 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.98 29.32 5.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.497 ' C ' ' HE3' ' A' ' 16' ' ' LYS . 1.4 m -142.84 175.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' HE3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -79.77 100.81 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 HD11 ' CG2' ' A' ' 15' ' ' VAL . 49.4 mm -118.81 137.18 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -62.78 167.27 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 -17.4 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.5 mm -90.01 -43.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -115.75 -21.21 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m170 70.65 41.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -114.22 145.22 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.31 127.21 21.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 2.8 pp -127.12 166.8 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.56 -65.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -120.57 113.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.44 -135.22 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -118.14 150.29 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -137.62 161.84 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.11 122.27 44.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -84.01 23.65 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 m -115.03 -57.98 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.2 p -106.3 -47.11 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.32 64.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 38' ' ' MET . 2.4 pp -130.63 134.59 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' NE ' ' HG3' ' A' ' 16' ' ' LYS . 82.8 mtt-85 -101.29 149.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 36' ' ' ILE . 28.2 mtp -145.52 132.79 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 67.3 m80 -54.0 168.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -61.76 -57.35 24.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -16.09 37.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 36.5 m -82.12 -38.46 24.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 38' ' ' MET . 70.7 t -68.83 -46.77 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.75 72.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -51.98 -29.7 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -92.65 -17.37 24.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -128.05 42.25 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -87.75 -47.13 8.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.5 p -111.4 83.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -175.48 159.61 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.62 -59.26 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -106.6 118.56 54.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.26 42.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -129.71 131.64 46.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.1 t -60.42 129.17 88.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.46 12.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.06 -69.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.57 -35.45 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.69 45.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -106.24 -65.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -175.46 142.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -87.84 110.88 38.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -42.62 3.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -78.09 176.61 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -89.51 164.27 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.59 127.09 49.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.92 25.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -130.91 128.03 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -89.41 133.95 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.97 176.55 25.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.44 3.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.4 p -109.89 142.44 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.21 150.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -146.36 171.17 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -110.95 177.83 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.34 128.56 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -138.89 175.76 9.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -88.5 176.86 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.57 154.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -155.7 109.64 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -81.74 127.87 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -175.46 133.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 10' ' ' THR . 15.6 m-85 -143.91 151.24 52.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.06 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.56 38.31 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.36 29.36 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.39 -173.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.7 102.37 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 18' ' ' CYS . 31.5 mm -119.75 151.87 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' N ' HG22 ' A' ' 17' ' ' ILE . 12.2 t -75.36 167.01 22.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.66 -12.84 12.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.429 ' CG1' ' HE3' ' A' ' 38' ' ' MET . 27.0 mm -93.19 -39.13 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -121.15 -14.35 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.9 m170 62.71 48.68 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -126.12 148.75 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 129.3 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.2 pp -124.56 173.93 8.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -164.27 129.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 61.96 46.15 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.88 -154.57 9.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 65' ' ' GLU . 26.5 mm-40 -92.19 133.98 35.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -127.63 148.28 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.14 124.95 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -92.65 21.43 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.7 m -113.79 -62.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 p -94.23 -49.97 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.61 27.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.9 pp -113.99 141.3 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' C ' ' HG3' ' A' ' 38' ' ' MET . 9.4 ptp180 -122.64 163.93 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.429 ' HE3' ' CG1' ' A' ' 20' ' ' ILE . 10.5 mtp -141.56 157.66 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 65.1 m80 -65.23 173.84 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.77 -57.25 12.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 -14.09 35.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.5 m -84.79 -38.75 19.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 67' ' ' PRO . 93.2 t -65.97 -50.26 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.54 -51.52 65.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -50.9 -30.11 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -92.46 -18.28 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.404 ' CB ' HD13 ' A' ' 66' ' ' ILE . 17.3 m-85 -125.97 37.86 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.7 pt20 -105.73 -30.75 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -89.08 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 25.4 p-10 -53.44 157.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.93 -50.32 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 116.02 64.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 119.07 6.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.382 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.5 139.82 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.8 t -68.32 128.44 93.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.53 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -115.77 -68.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.3 p -83.32 -26.67 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 8.4 t30 74.91 38.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.37 153.61 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 6.2 t80 -44.74 129.09 7.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.563 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.5 t-105 -54.01 113.27 4.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 3.61 2.63 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -131.27 178.23 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 29' ' ' GLN . 22.6 pt-20 -82.14 168.72 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 47' ' ' PHE . 26.2 mm -104.08 121.09 48.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.412 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -128.87 162.17 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.3 m -53.65 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.05 172.38 39.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.83 36.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.391 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -87.47 154.38 20.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.4 p 39.36 42.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.531 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -83.27 114.85 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -151.69 148.43 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 -171.16 43.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -83.93 42.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m -86.35 170.92 11.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.43 76.47 0.31 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -86.73 133.32 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -51.2 117.5 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.482 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 44.2 p -127.74 88.25 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 10' ' ' THR . 4.3 m-85 -139.31 150.12 63.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.681 0.753 . . . . 0.0 110.943 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -132.22 41.5 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.01 31.44 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 24' ' ' LEU . 33.9 m -134.81 -173.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 1.6 mppt? -75.48 56.28 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 HG21 ' CD2' ' A' ' 22' ' ' HIS . 44.3 mm -58.97 145.72 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.97 166.03 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.475 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -111.74 -18.73 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.97 -42.66 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.83 -18.19 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.401 ' CD2' HG21 ' A' ' 17' ' ' ILE . 1.3 t-80 66.21 31.2 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -100.58 164.49 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -71.67 129.31 38.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 2.4 pp -132.86 162.92 30.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -130.6 -44.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -130.16 119.72 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.24 -139.57 3.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -102.16 137.31 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -121.93 161.97 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.93 117.68 34.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -83.68 30.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.0 m -120.89 -56.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 p -108.5 -47.42 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.52 40.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' HB ' ' ND2' ' A' ' 19' ' ' ASN . 2.4 pp -112.33 144.53 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -116.77 147.9 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.476 ' CB ' HG21 ' A' ' 43' ' ' VAL . 30.3 mtp -139.46 128.68 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 51.0 m80 -48.7 156.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -51.79 -57.0 16.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.7 -16.17 37.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.339 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 37.6 m -85.66 -30.96 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.476 HG21 ' CB ' ' A' ' 38' ' ' MET . 88.4 t -73.67 -46.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -62.99 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -54.13 -32.63 55.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 5.8 t80 -85.42 -24.49 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CD2' HD12 ' A' ' 66' ' ' ILE . 20.6 m-85 -119.44 34.22 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.9 tt0 -42.51 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 48' ' ' GLN . 6.2 t 31.93 48.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -86.84 -176.32 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.35 -70.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 13.9 mt-10 -112.39 105.98 55.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.69 115.95 4.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -108.94 128.67 55.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 35.7 t -54.44 127.18 57.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.69 5.49 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.452 ' CG ' HG23 ' A' ' 36' ' ' ILE . 72.2 t60 -116.81 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.26 -26.82 18.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 36.0 t-20 74.71 41.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -117.83 144.38 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -37.89 124.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -57.36 114.24 7.84 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.46 -176.93 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.79 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.576 HD12 ' CD2' ' A' ' 47' ' ' PHE . 15.9 mm -86.08 135.44 37.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HD2' ' CG2' ' A' ' 66' ' ' ILE . 54.1 Cg_endo -69.81 158.35 57.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -93.77 147.12 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 t -103.0 41.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.74 162.93 37.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 152.72 69.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.7 m -78.99 126.37 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.6 p -65.41 -48.27 73.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.506 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -66.65 165.2 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -54.54 103.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.1 -78.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 54.31 41.41 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -88.14 122.16 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -87.6 159.57 30.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.3 ptt180 38.28 34.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.316 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -44.52 130.06 6.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.443 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 33.7 p -131.71 152.33 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 10' ' ' THR . 12.2 m-85 -154.23 153.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.06 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -130.74 36.98 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.75 38.09 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.45 -2.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.06 103.12 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -78.22 139.29 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 t -60.8 169.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -111.93 -25.31 9.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -85.32 -48.13 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.79 -19.16 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.9 m80 62.12 50.16 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -121.23 142.31 50.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.47 118.45 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 1.7 pp -123.25 164.83 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 pt -126.58 -29.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -138.03 141.85 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.94 -140.34 6.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -102.95 161.69 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 58.8 p -146.5 150.83 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.03 135.23 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.83 -14.63 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -73.67 -61.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.92 -47.61 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.79 58.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 HG22 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -126.08 140.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 11.0 mtp85 -101.15 152.01 21.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.6 mtp -145.33 150.08 35.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 56.5 m80 -72.56 159.67 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.1 mm? -56.0 -56.56 29.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.75 -16.92 37.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 35.4 m -83.32 -37.9 22.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.99 -48.47 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.41 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -59.81 -30.84 69.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 15.6 t80 -91.61 -25.22 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CD1' ' CB ' ' A' ' 53' ' ' PRO . 22.8 m-85 -113.14 30.88 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -43.99 169.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 48' ' ' GLN . 3.1 m -32.34 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 48' ' ' GLN . 18.2 p30 -141.21 -175.26 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -118.93 107.73 41.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.574 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 143.32 50.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -121.23 126.54 49.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' ASN . 44.3 t -59.52 129.02 86.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.82 5.47 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' CG ' HG22 ' A' ' 36' ' ' ILE . 12.6 t60 -117.56 -46.4 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.8 p -118.76 18.34 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' CYS . 62.0 t30 32.62 35.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 58' ' ' CYS . 16.0 t0 -103.26 153.95 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.12 120.44 6.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -49.3 110.94 1.71 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.19 37.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -105.35 177.97 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.95 171.55 13.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 47' ' ' PHE . 50.8 mm -105.03 126.03 32.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 171.52 14.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -97.37 158.14 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -112.71 83.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 162.14 32.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 153.69 68.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -44.11 -54.72 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -157.5 151.67 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.507 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -92.64 138.95 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -108.73 132.91 53.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.48 148.43 26.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.471 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' GLY . 20.2 m -34.67 112.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -110.15 94.04 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.38 -143.35 14.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -46.71 135.77 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -113.51 179.96 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -85.28 143.72 28.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.35 153.26 81.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -53.01 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.34 45.87 2.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.98 27.93 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG2' HD23 ' A' ' 24' ' ' LEU . 5.5 m -143.84 -174.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 97.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 18' ' ' CYS . 35.8 mm -113.09 158.56 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 11.1 t -77.9 167.22 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.44 -7.42 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.36 -49.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.61 -10.93 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 m80 61.49 34.56 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -103.51 139.33 38.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD23 ' CG2' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -49.19 123.77 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -117.39 179.62 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -130.42 -66.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -131.67 98.65 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.69 -136.27 3.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -105.21 136.2 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -118.48 148.62 42.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.92 127.0 43.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -94.11 24.09 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -112.42 -60.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -104.31 -45.65 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 70.85 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.02 150.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -113.71 154.09 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.8 mtp -146.19 141.3 27.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' NE2' ' HB3' ' A' ' 25' ' ' LEU . 37.0 m80 -58.81 164.67 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.6 mm? -60.76 -57.74 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.74 -11.81 31.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.9 m -89.26 -20.81 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.413 HG13 ' CD2' ' A' ' 47' ' ' PHE . 53.3 t -88.62 -47.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.32 -56.39 22.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.04 -40.0 63.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 5.9 t80 -70.02 -34.24 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' CD2' HG13 ' A' ' 43' ' ' VAL . 24.8 m-85 -107.12 19.96 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.0 tp60 -92.23 155.22 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m 49.46 52.68 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 30.7 p30 -149.89 -178.93 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.05 -65.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.98 121.05 31.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 138.48 37.78 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.286 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -132.65 117.21 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.5 t -42.95 132.84 3.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.71 6.75 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 55' ' ' CYS . 20.6 t60 -117.91 -68.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.92 -3.44 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 41.3 t30 48.08 38.7 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.43 170.14 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -54.57 130.05 38.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -63.59 114.42 13.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -13.39 34.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -109.55 -179.87 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.98 169.61 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -100.12 126.75 35.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 174.61 9.23 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.351 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -98.41 153.17 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.6 p -124.0 43.55 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.43 164.19 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -178.21 2.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -119.57 146.09 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.4 p -118.79 41.57 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -65.9 167.59 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -110.41 -14.23 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.6 mm -97.18 -49.91 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -13.47 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.16 48.69 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -123.64 139.37 54.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -48.74 125.75 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.2 pp -126.79 170.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.25 -59.0 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -114.51 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.04 -130.79 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.408 ' OE1' HG11 ' A' ' 43' ' ' VAL . 13.2 mt-30 -125.65 139.61 53.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 15.6 t -126.4 160.66 29.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -110.21 130.59 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -85.5 -14.91 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -70.39 -51.86 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.23 -47.98 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.61 68.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 pp -136.66 136.51 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -99.59 151.54 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 46.3 mtp -146.3 146.76 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.576 ' O ' HG23 ' A' ' 43' ' ' VAL . 39.7 m80 -67.48 168.82 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.42 -57.55 12.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 48.5 m -93.41 -43.78 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 39' ' ' HIS . 79.6 t -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.19 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -51.54 -22.75 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.5 t80 -95.95 -21.57 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CD2' HD12 ' A' ' 66' ' ' ILE . 23.5 m-85 -118.0 30.77 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.148 0 CA-C-O 120.782 0.242 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -133.0 126.15 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.0 t -48.87 127.05 14.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.72 0.67 5.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.529 ' CD2' HG21 ' A' ' 36' ' ' ILE . 42.8 t-80 -106.41 -71.0 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.82 -31.89 40.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.8 t30 67.76 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -116.56 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -175.29 146.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -89.32 108.91 27.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -31.36 20.95 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -86.47 178.21 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -88.58 167.4 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 47' ' ' PHE . 49.1 mm -98.06 122.16 55.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.412 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.486 HD13 HD22 ' A' ' 24' ' ' LEU . 42.0 mm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.84 0.353 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 38' ' ' MET . 11.4 t -66.3 167.58 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -112.38 -18.83 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mm -91.54 -43.09 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 p -113.0 -20.18 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.3 m80 66.17 49.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -124.88 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.602 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -48.8 131.5 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 pp -133.83 170.22 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 26' ' ' ILE . 5.2 mp -133.26 -42.42 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -129.59 121.92 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.67 -144.49 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.59 ' HB2' HG21 ' A' ' 43' ' ' VAL . 29.2 mm-40 -107.44 152.27 24.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 60.6 p -137.39 159.75 41.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.83 141.37 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -97.6 -16.45 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -71.6 -61.42 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -102.96 -46.18 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.81 69.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.62 146.9 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NE ' ' HB3' ' A' ' 30' ' ' SER . 19.6 mmt180 -107.99 148.86 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.656 ' HB2' HG22 ' A' ' 43' ' ' VAL . 36.5 mtp -145.71 132.48 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.757 ' O ' HG23 ' A' ' 43' ' ' VAL . 45.8 m80 -54.15 170.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.7 mm? -63.14 -57.76 19.35 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.6 0.714 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.77 -11.39 30.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.3 m -87.05 -37.36 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 39' ' ' HIS . 87.5 t -69.76 -45.44 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.74 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -49.91 -23.63 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 9.9 t80 -96.06 -22.94 17.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 22.5 m-85 -120.43 38.1 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.797 0.249 . . . . 0.0 112.297 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -119.9 126.71 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.5 t -49.75 126.55 18.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.76 5.77 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -113.27 -64.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 9.9 p -88.72 -23.3 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 10.2 t-20 72.36 38.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -112.76 160.64 17.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 12.0 t80 -55.43 129.66 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.523 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 7.9 t-105 -61.41 116.87 22.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.584 0.707 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.63 16.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 65' ' ' GLU . 6.8 t-80 -91.81 179.81 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 9.8 pt-20 -86.15 165.79 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.44 124.8 52.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.37 24.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -59.74 166.77 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -115.1 -21.31 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.413 HD11 ' HE3' ' A' ' 38' ' ' MET . 20.5 mm -90.58 -37.74 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -117.93 -19.42 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 t60 68.98 25.6 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -100.54 141.43 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -53.59 135.49 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.56 172.26 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.11 -42.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -143.04 135.38 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.45 -118.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.563 ' HG3' HG21 ' A' ' 43' ' ' VAL . 26.5 mm-40 -123.42 147.34 47.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 p -132.39 157.69 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.9 t -106.69 120.94 43.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.11 27.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.8 m -117.55 -58.61 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -106.92 -47.36 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.36 72.32 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.02 143.12 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.584 ' HD3' HD11 ' A' ' 25' ' ' LEU . 10.0 mtp180 -110.58 151.2 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.584 ' HB2' HG22 ' A' ' 43' ' ' VAL . 32.2 mtp -144.99 131.52 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.652 ' O ' HG23 ' A' ' 43' ' ' VAL . 65.3 m80 -53.41 173.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -64.7 -57.58 16.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.77 -14.12 35.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m -83.74 -30.88 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 39' ' ' HIS . 97.3 t -81.29 -46.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -57.35 -54.51 46.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -49.82 -29.77 8.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 3.0 t80 -89.44 -28.98 19.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -121.19 39.49 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.799 0.25 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -144.52 122.46 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 43.9 t -48.42 129.33 13.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.75 -9.27 25.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -91.72 -69.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.33 -40.43 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 7.7 t-20 74.94 52.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.94 -63.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 71.6 t80 -175.72 148.89 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -89.16 108.12 22.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.586 0.707 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.81 -5.42 16.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -117.62 176.13 5.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.3 163.63 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 67' ' ' PRO . 40.5 mm -89.9 134.15 32.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 66' ' ' ILE . 53.4 Cg_endo -69.75 173.08 11.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.9 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.335 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -61.37 164.88 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.27 -9.28 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.404 HD11 ' HE3' ' A' ' 38' ' ' MET . 47.6 mm -101.27 -48.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.01 0.67 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m80 49.32 36.29 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -105.78 157.42 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.1 tm? -69.73 127.73 33.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -119.88 163.74 17.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -126.04 -29.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -151.05 119.68 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.01 -145.34 4.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' OE1' HG11 ' A' ' 43' ' ' VAL . 18.2 mt-30 -105.94 159.29 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 m -144.89 156.96 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.9 t -101.31 131.94 47.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -82.57 -15.97 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.8 m -71.73 -69.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 36' ' ' ILE . 15.7 p -88.38 -48.36 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 36.14 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.481 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -101.77 160.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -122.46 152.33 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.404 ' HE3' HD11 ' A' ' 20' ' ' ILE . 48.9 mtp -145.84 149.88 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 43' ' ' VAL . 61.4 m80 -67.23 172.7 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -68.61 -57.74 7.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.76 -11.99 31.97 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 m -87.46 -30.87 20.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 39' ' ' HIS . 96.8 t -77.58 -47.5 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -58.83 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -47.18 -24.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.61 -24.58 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CE2' HG13 ' A' ' 43' ' ' VAL . 22.8 m-85 -119.02 23.86 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.747 0.228 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.427 ' CD ' ' O ' ' A' ' 59' ' ' ASN . 9.1 mmt85 -120.04 138.49 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 12.1 t -64.86 125.23 88.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 5.29 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CG ' HG21 ' A' ' 36' ' ' ILE . 17.7 t60 -116.28 -47.71 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.8 p -120.68 21.05 11.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' CYS . 9.4 m120 31.27 50.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.2 154.31 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.02 123.13 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -60.1 115.65 14.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -67.42 173.31 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.7 171.39 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.27 126.03 37.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 158.51 56.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.887 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 24' ' ' LEU . 22.4 mm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' N ' HG22 ' A' ' 17' ' ' ILE . 13.6 t -72.53 166.28 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.28 -15.33 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.83 -54.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.03 -9.98 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.1 m170 60.95 36.41 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -109.21 157.22 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.658 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -64.2 134.98 55.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.3 pp -132.11 170.28 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 tt -129.94 -31.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -145.76 127.28 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.28 -140.0 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -115.93 138.21 51.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -117.72 161.69 19.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -108.02 141.3 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -94.3 -18.0 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.7 m -71.49 -60.17 2.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 p -105.22 -47.0 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.54 70.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.694 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -135.61 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -97.16 150.03 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.648 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 55.7 mtp -143.07 151.47 40.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.756 ' O ' HG23 ' A' ' 43' ' ' VAL . 55.8 m80 -67.44 172.35 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -69.69 -57.45 6.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.73 -12.14 32.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.364 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.7 m -87.08 -36.82 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 39' ' ' HIS . 82.4 t -70.23 -45.02 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -66.28 -54.55 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -23.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -95.32 -23.93 16.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -123.19 31.26 6.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.9 tp60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.76 0.233 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -148.79 121.59 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -46.61 131.13 8.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.648 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.3 Cg_endo -69.83 -3.51 12.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -104.9 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.0 p -82.61 -35.08 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.35 48.3 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -110.21 -60.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -175.16 137.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -84.22 112.92 44.95 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.736 2.29 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CG ' ' H ' ' A' ' 65' ' ' GLU . 13.2 t-80 -72.28 179.26 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 13.0 pt-20 -90.12 167.26 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mm -95.44 127.2 42.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.74 48.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.403 HD13 HD22 ' A' ' 24' ' ' LEU . 51.0 mm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -59.92 166.4 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -113.45 -9.9 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.9 -46.12 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.57 -14.33 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.83 40.3 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -51.51 135.18 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.833 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -126.19 168.57 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.57 -38.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -135.01 -71.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' GLN . . . 44.68 -171.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' HB2' HG21 ' A' ' 43' ' ' VAL . 4.0 mm-40 -92.26 171.11 9.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -146.56 161.15 41.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 t -115.11 133.0 56.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.68 -11.14 29.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.8 m -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -104.06 -48.33 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.32 69.38 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.732 HG21 ' CD2' ' A' ' 57' ' ' HIS . 2.7 pp -138.16 144.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -109.59 148.35 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.5 mtp -143.03 163.35 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.4 m80 -79.14 171.74 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -68.66 -57.5 8.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.81 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 47.0 m -91.32 -39.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 39' ' ' HIS . 90.1 t -71.96 -44.31 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.63 -63.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -48.47 -25.42 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 13.3 t80 -89.44 -24.0 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CE2' HG13 ' A' ' 43' ' ' VAL . 22.1 m-85 -121.77 24.18 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.761 0.234 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -117.63 119.88 36.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.0 t -46.86 129.61 8.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.78 -1.18 8.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.732 ' CD2' HG21 ' A' ' 36' ' ' ILE . 65.4 t-80 -103.55 -70.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.4 p -81.34 -33.55 32.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.8 t30 66.21 50.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -119.29 -64.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -174.18 135.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -82.47 110.69 23.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -63.97 167.71 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.79 160.38 27.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.5 mm -93.86 126.03 50.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.685 0.755 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.15 22.36 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.716 2.278 . . . . 0.0 112.386 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.99 167.1 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.94 -19.28 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.664 HD11 ' HE3' ' A' ' 38' ' ' MET . 20.7 mm -91.34 -39.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.87 -19.17 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 68.21 30.47 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -102.15 159.29 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.71 127.16 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.7 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -124.94 176.62 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 27' ' ' GLN . 5.4 tp -132.1 -42.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.454 ' N ' HG23 ' A' ' 26' ' ' ILE . 21.6 pt20 -137.65 127.6 25.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.22 -143.71 5.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.497 ' CG ' HG21 ' A' ' 43' ' ' VAL . 3.8 mm100 -102.72 157.77 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -142.33 160.08 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 t -99.84 122.53 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -83.54 20.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.404 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 87.7 m -114.41 -59.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 p -101.24 -50.22 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.57 52.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.556 HG21 ' CD2' ' A' ' 57' ' ' HIS . 2.7 pp -118.43 140.85 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -104.43 150.29 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.664 ' HE3' HD11 ' A' ' 20' ' ' ILE . 28.8 mtp -145.47 134.89 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . 66.6 m80 -55.83 166.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -62.11 -57.26 24.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 -17.68 37.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.28 . . . . 0.0 112.322 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 50.5 m -81.73 -39.11 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' HIS . 82.5 t -65.39 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -60.27 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -51.81 -31.51 27.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -91.0 -21.59 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 14.3 m-85 -125.5 47.79 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 54.5 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.824 0.26 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -107.24 137.37 45.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.9 t -71.15 125.22 91.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 5.23 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 36' ' ' ILE . 50.4 t-80 -111.25 -52.28 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.0 p -117.75 22.99 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' CYS . 4.0 t-20 32.19 36.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.3 t70 -101.92 160.44 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.78 122.25 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -53.89 109.94 1.8 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.498 0.666 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.16 9.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -79.46 175.91 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -87.71 162.6 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 mm -93.29 131.3 33.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.75 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 24' ' ' LEU . 44.6 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -45.66 167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -112.71 -18.84 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.4 mm -89.39 -49.5 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -106.23 -19.37 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 65.49 53.55 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -126.43 157.51 38.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -64.08 122.0 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 pp -125.61 158.15 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 27' ' ' GLN . 8.2 tt -124.7 -44.0 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 26' ' ' ILE . 3.8 tt0 -123.79 125.59 44.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.46 -136.42 2.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HB2' HG21 ' A' ' 43' ' ' VAL . 30.7 mm-40 -109.73 159.79 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -142.06 156.6 45.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -108.99 138.82 44.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.01 -10.75 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -76.59 -60.06 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -104.06 -47.08 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 79.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.6 pp -151.35 154.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -119.22 150.03 40.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.492 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 34.0 mtp -140.66 150.45 43.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 43' ' ' VAL . 50.2 m80 -66.86 171.08 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.32 -57.84 11.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.584 0.707 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.75 -10.09 27.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.361 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 m -90.29 -33.45 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' HIS . 61.2 t -76.49 -43.12 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -67.86 -59.99 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -47.44 -21.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -96.39 -24.64 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' ALA . 22.8 m-85 -117.38 32.42 6.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' PHE . 1.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.771 0.238 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mtt85 -139.11 124.26 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.6 t -48.21 131.64 12.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 -3.22 11.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -104.29 -70.37 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 p -81.48 -37.97 27.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.59 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.38 -65.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -174.28 140.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -84.95 110.63 29.64 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.575 0.702 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.51 7.62 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -83.57 -178.45 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.85 169.85 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.67 125.96 38.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 168.21 22.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.443 ' CD1' HD22 ' A' ' 24' ' ' LEU . 25.9 mm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -49.45 165.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -111.78 -22.84 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.0 mm -82.38 -49.32 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.91 -23.11 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.1 m80 70.3 42.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -111.08 134.32 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -43.67 123.83 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -118.13 -174.49 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' GLN . 2.5 tp -130.79 -42.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' N ' HG23 ' A' ' 26' ' ' ILE . 50.1 tp60 -129.93 -74.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 46.19 -156.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -106.2 156.78 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 p -132.27 158.22 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.2 t -106.15 129.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.8 27.41 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -116.94 -53.91 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.5 p -111.41 -51.43 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.95 56.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.7 pp -126.71 150.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -118.21 148.22 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.619 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 37.6 mtp -143.21 136.17 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.506 ' O ' HG23 ' A' ' 43' ' ' VAL . 31.2 m80 -55.02 161.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -57.25 -56.81 29.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.76 -9.67 26.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 30.8 m -90.08 -30.8 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 39' ' ' HIS . 81.4 t -77.38 -45.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -59.49 -65.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 -22.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.7 t80 -92.43 -28.58 16.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ALA . 21.6 m-85 -118.64 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.76 0.233 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -133.37 115.62 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.8 t -39.66 127.94 1.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.619 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 54.0 Cg_endo -69.7 -0.62 7.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.403 ' CG ' HG21 ' A' ' 36' ' ' ILE . 46.7 t-80 -105.96 -70.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.8 p -80.44 -34.02 36.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 68.55 47.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.0 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -175.03 136.48 0.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -82.33 111.38 27.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -67.26 164.12 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.95 166.11 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.5 mm -95.2 126.08 47.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.3 tttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 24' ' ' LEU . 50.3 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.8 166.99 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -112.64 -18.73 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.17 -45.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -112.64 -18.82 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 m80 72.0 27.84 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 m -104.25 146.25 29.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -54.04 135.93 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.3 pp -134.81 153.66 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.497 HG13 ' NE2' ' A' ' 27' ' ' GLN . 46.4 pt -134.88 -31.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.497 ' NE2' HG13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -122.11 48.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -115.94 173.77 14.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.647 ' HB2' HG21 ' A' ' 43' ' ' VAL . 4.0 mm100 -71.57 166.57 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -145.3 160.67 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.91 135.32 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -93.51 -12.02 30.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -74.42 -59.99 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.6 -49.69 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.86 56.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 57' ' ' HIS . 2.6 pp -122.48 178.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.0 mtt85 -141.57 141.68 33.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.665 ' HB2' HG22 ' A' ' 43' ' ' VAL . 24.8 mtp -140.23 139.48 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.843 ' O ' HG23 ' A' ' 43' ' ' VAL . 44.5 m80 -55.81 168.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -62.29 -57.74 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.4 m -91.34 -33.39 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 39' ' ' HIS . 45.7 t -75.11 -45.49 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -64.04 -55.57 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -48.12 -25.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -92.18 -26.24 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CB ' HD12 ' A' ' 66' ' ' ILE . 18.4 m-85 -116.15 26.18 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.9 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.795 0.248 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -109.88 118.96 37.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.16 133.06 7.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.24 18.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' A' ' 36' ' ' ILE . 59.9 t-80 -101.27 -72.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 p -78.58 -38.61 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 70.49 49.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.53 -65.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -174.85 122.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -66.45 111.81 7.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.39 169.56 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.28 163.79 25.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.411 HD12 ' CB ' ' A' ' 47' ' ' PHE . 19.5 mm -93.68 122.84 61.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 175.75 7.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.0 mttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -72.96 163.41 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.474 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -110.53 -11.03 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.7 mm -97.65 -45.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.92 -12.04 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.4 m80 57.84 51.89 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -126.19 135.19 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.87 121.49 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.702 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 pp -120.19 173.85 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.9 mp -128.36 -44.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -132.37 143.34 49.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.69 -142.38 7.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HB2' HG21 ' A' ' 43' ' ' VAL . 24.3 mm-40 -100.32 153.41 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 85.9 p -137.0 160.28 39.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 t -114.58 137.31 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.47 -7.63 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -79.17 -57.05 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.13 -42.17 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.54 72.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.622 HG21 ' CD2' ' A' ' 57' ' ' HIS . 2.8 pp -140.75 149.28 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 25.5 mtp85 -112.93 148.84 34.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.821 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 42.0 mtp -143.29 136.49 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.6 m80 -57.82 171.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -65.56 -57.24 15.02 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.745 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.7 -13.28 34.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 40.8 m -84.69 -36.85 21.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' HIS . 80.1 t -74.32 -46.84 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.3 -51.54 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.21 -27.16 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 6.1 t80 -85.62 -26.87 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.7 m-85 -120.12 28.98 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.429 ' CB ' HD11 ' A' ' 66' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.795 0.248 . . . . 0.0 112.385 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 54' ' ' ARG . 17.3 mtm105 -112.35 132.83 54.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.5 t -55.49 129.45 69.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.821 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.8 Cg_endo -69.73 2.24 3.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.622 ' CD2' HG21 ' A' ' 36' ' ' ILE . 60.3 t-80 -109.37 -65.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.4 p -87.91 -27.85 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.71 54.45 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.62 -68.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -172.53 138.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -81.21 111.53 25.26 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -27.99 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -95.46 179.54 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.77 163.16 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 53' ' ' PRO . 28.0 mm -86.0 129.29 54.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.507 HD13 HD22 ' A' ' 24' ' ' LEU . 12.4 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.935 0.398 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.3 t -58.84 168.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -115.59 -22.85 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CG1' ' HB3' ' A' ' 42' ' ' CYS . 43.7 mm -84.55 -50.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.33 -12.77 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 68.55 25.05 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -100.58 159.94 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD22 HD13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -65.35 129.3 39.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.8 pp -120.85 163.68 17.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 pt -151.74 117.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 70.01 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.65 -151.12 8.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.677 ' CG ' HG21 ' A' ' 43' ' ' VAL . 2.0 mm100 -88.64 151.35 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -138.68 160.95 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 t -115.12 129.99 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -95.67 -7.34 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -78.17 -51.94 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -111.93 -47.3 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.33 67.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.5 pp -142.36 148.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -116.64 153.97 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.644 ' HB2' HG22 ' A' ' 43' ' ' VAL . 31.0 mtp -145.35 148.47 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.879 ' O ' HG23 ' A' ' 43' ' ' VAL . 49.4 m80 -63.66 167.28 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.546 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.04 -57.37 18.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.76 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 45.5 m -89.04 -37.81 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 39' ' ' HIS . 57.2 t -67.64 -45.12 85.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.52 -53.18 55.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -49.69 -25.42 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.8 t80 -95.2 -21.54 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -122.69 32.96 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 8.1 tp60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.749 0.229 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -111.67 120.94 43.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.5 t -45.56 130.66 6.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 1.45 4.42 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -109.44 -69.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -82.26 -30.25 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.2 t30 60.55 54.47 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.07 -65.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -175.07 129.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -75.37 111.98 16.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.63 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -68.42 170.24 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.63 158.06 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -87.65 126.87 60.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 171.88 13.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 t -61.41 166.74 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.92 -19.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.27 -42.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.49 -23.55 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 73.03 33.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 m -109.39 157.97 18.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -65.2 132.57 49.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.675 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -129.92 160.17 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 27' ' ' GLN . 7.8 tp -114.46 -44.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.495 ' N ' HG23 ' A' ' 26' ' ' ILE . 2.8 tp-100 -137.45 137.84 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.95 -138.12 4.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.752 ' HG3' HG21 ' A' ' 43' ' ' VAL . 32.9 mm-40 -102.53 158.14 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 p -145.36 161.48 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 t -116.55 141.6 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -102.35 -6.87 22.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -81.73 -57.29 3.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.39 -44.92 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -138.18 141.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HD2' HD11 ' A' ' 25' ' ' LEU . 86.9 mtt180 -106.74 155.34 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.684 ' HB2' HG22 ' A' ' 43' ' ' VAL . 15.0 mtp -145.46 136.41 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.829 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.3 m80 -56.62 170.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.65 -57.6 16.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.681 0.753 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -15.42 36.99 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.1 m -83.72 -36.48 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 39' ' ' HIS . 93.1 t -71.5 -41.85 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -67.22 -45.97 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -53.44 -32.44 49.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 9.2 t80 -85.14 -19.36 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CD2' HD12 ' A' ' 66' ' ' ILE . 25.0 m-85 -124.16 32.13 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.754 0.231 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -120.01 133.54 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 25.4 t -59.78 127.33 85.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 5.84 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -115.24 -62.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 16.7 p -92.8 -23.88 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 14.7 t-20 71.25 41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' TYR . 4.7 m-20 -117.88 145.51 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 18.5 t80 -36.6 129.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.488 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.9 t-105 -62.42 117.54 31.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -10.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -119.08 -176.36 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -94.94 168.56 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 53' ' ' PRO . 24.4 mm -94.39 131.72 30.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.71 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.411 HD13 HD22 ' A' ' 24' ' ' LEU . 27.4 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.78 166.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.95 -11.53 13.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.07 -50.31 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.4 p -105.85 -13.49 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.02 39.86 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.17 150.28 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.76 124.34 19.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 25' ' ' LEU . 2.6 pp -125.34 176.33 6.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.81 -57.07 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -123.57 143.87 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.68 -137.06 4.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -111.46 154.89 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 30.2 t -144.94 161.86 38.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 t -109.11 132.81 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -86.38 -13.87 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.1 m -72.44 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -49.17 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.24 74.12 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.5 pp -140.92 135.62 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -95.45 151.57 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.466 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.6 mtp -146.65 133.27 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.716 ' O ' HG23 ' A' ' 43' ' ' VAL . 60.6 m80 -55.48 164.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mm? -60.79 -57.31 27.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.71 -13.67 35.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 44.7 m -86.53 -31.5 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 39' ' ' HIS . 88.9 t -75.33 -44.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.98 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -55.43 -17.7 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -93.11 -26.3 17.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CD2' HD12 ' A' ' 66' ' ' ILE . 19.9 m-85 -104.89 9.75 34.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.604 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.746 0.228 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HD2' ' C ' ' A' ' 53' ' ' PRO . 2.2 mpt_? -153.74 117.32 4.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.61 127.35 24.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.7 2.79 3.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -112.71 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.8 p -85.36 -25.56 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.1 t30 58.16 44.08 19.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.92 -66.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.403 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 79.0 t80 -175.23 138.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -83.32 110.3 23.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 61' ' ' TYR . 53.8 Cg_endo -69.76 -7.85 22.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -112.53 173.31 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -175.41 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.756 HD12 ' CD2' ' A' ' 47' ' ' PHE . 29.1 mm -111.09 121.24 41.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.89 3.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -62.56 168.52 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -114.56 -27.29 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.6 HD11 ' HE3' ' A' ' 38' ' ' MET . 50.4 mm -80.03 -44.02 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.68 -23.82 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 m80 71.09 39.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -114.61 143.94 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.2 tm? -50.91 130.98 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.712 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 pp -127.74 167.97 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.5 mt -96.24 -67.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -126.41 -68.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 48.98 -144.84 7.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.56 ' HB2' HG21 ' A' ' 43' ' ' VAL . 2.6 mm100 -102.3 152.77 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -135.77 160.47 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -114.54 136.09 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.38 -15.51 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.8 m -71.65 -58.59 3.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -104.3 -47.49 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.86 41.49 0.77 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.492 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -112.31 140.77 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -104.4 151.5 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.662 ' HB2' HG22 ' A' ' 43' ' ' VAL . 24.0 mtp -144.14 142.15 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.907 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.1 m80 -59.9 166.13 2.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -61.88 -57.69 22.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.2 Cg_endo -69.78 -12.99 33.98 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.276 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.7 m -87.53 -36.46 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 39' ' ' HIS . 65.1 t -67.98 -46.79 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.451 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -65.36 -45.85 82.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -52.55 -25.56 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.4 t80 -95.55 -23.98 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -116.34 35.06 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.721 0.217 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -122.25 119.46 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 54.0 t -48.05 129.84 12.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 5.47 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -115.3 -70.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -80.16 -24.74 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 5.8 t-20 71.81 35.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.9 m-20 -117.75 147.57 42.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 43.4 t80 -35.87 125.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -62.74 114.1 11.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.73 4.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -73.82 173.02 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.14 162.06 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.24 126.49 41.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.78 159.53 53.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mm . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -62.78 167.27 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 -17.4 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 ' HE3' ' A' ' 38' ' ' MET . 27.5 mm -90.01 -43.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -115.75 -21.21 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m170 70.65 41.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -114.22 145.22 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.31 127.21 21.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.8 pp -127.12 166.8 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.56 -65.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -120.57 113.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.44 -135.22 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HB2' HG21 ' A' ' 43' ' ' VAL . 9.7 mm-40 -118.14 150.29 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -137.62 161.84 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.11 122.27 44.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -84.01 23.65 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 m -115.03 -57.98 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.45 ' SG ' HG23 ' A' ' 36' ' ' ILE . 24.2 p -106.3 -47.11 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.32 64.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 pp -130.63 134.59 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -101.29 149.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.619 ' HB2' HG22 ' A' ' 43' ' ' VAL . 28.2 mtp -145.52 132.79 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.596 ' O ' HG23 ' A' ' 43' ' ' VAL . 67.3 m80 -54.0 168.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -61.76 -57.35 24.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -16.09 37.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 36.5 m -82.12 -38.46 24.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' ' 38' ' ' MET . 70.7 t -68.83 -46.77 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.75 72.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -51.98 -29.7 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -92.65 -17.37 24.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -128.05 42.25 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.9 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.796 0.249 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -129.71 131.64 46.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.1 t -60.42 129.17 88.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.46 12.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -105.06 -69.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.57 -35.45 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.69 45.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -106.24 -65.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -175.46 142.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -87.84 110.88 38.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -42.62 3.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -78.09 176.61 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -89.51 164.27 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.59 127.09 49.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.92 25.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tptm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.5 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 12.2 t -75.36 167.01 22.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.66 -12.84 12.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.481 HD11 ' HE3' ' A' ' 38' ' ' MET . 27.0 mm -93.19 -39.13 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -121.15 -14.35 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.9 m170 62.71 48.68 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -126.12 148.75 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -53.17 129.3 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.512 HD21 ' HG3' ' A' ' 37' ' ' ARG . 1.2 pp -124.56 173.93 8.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -164.27 129.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 61.96 46.15 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.88 -154.57 9.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.567 ' HB2' HG21 ' A' ' 43' ' ' VAL . 26.5 mm-40 -92.19 133.98 35.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -127.63 148.28 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.14 124.95 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -92.65 21.43 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.7 m -113.79 -62.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 p -94.23 -49.97 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.61 27.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.484 HD12 ' C ' ' A' ' 36' ' ' ILE . 1.9 pp -113.99 141.3 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HG3' HD21 ' A' ' 25' ' ' LEU . 9.4 ptp180 -122.64 163.93 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.571 ' HB2' HG22 ' A' ' 43' ' ' VAL . 10.5 mtp -141.56 157.66 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.869 ' O ' HG23 ' A' ' 43' ' ' VAL . 65.1 m80 -65.23 173.84 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.77 -57.25 12.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 -14.09 35.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.5 m -84.79 -38.75 19.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 39' ' ' HIS . 93.2 t -65.97 -50.26 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.54 -51.52 65.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -50.9 -30.11 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -92.46 -18.28 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.97 37.86 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.7 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 CA-C-O 120.764 0.235 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.5 139.82 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.8 t -68.32 128.44 93.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.53 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -115.77 -68.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.3 p -83.32 -26.67 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 8.4 t30 74.91 38.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.37 153.61 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 6.2 t80 -44.74 129.09 7.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.563 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.5 t-105 -54.01 113.27 4.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 3.61 2.63 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -131.27 178.23 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 29' ' ' GLN . 22.6 pt-20 -82.14 168.72 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mm -104.08 121.09 48.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.423 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.97 166.03 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.481 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -111.74 -18.73 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.97 -42.66 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.83 -18.19 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.5 t60 66.21 31.2 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -100.58 164.49 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -71.67 129.31 38.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.772 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.86 162.92 30.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -130.6 -44.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -130.16 119.72 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.24 -139.57 3.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.666 ' CG ' HG21 ' A' ' 43' ' ' VAL . 15.5 mm100 -102.16 137.31 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -121.93 161.97 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.93 117.68 34.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -83.68 30.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.435 HG21 ' OD2' ' A' ' 60' ' ' ASP . 86.0 m -120.89 -56.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.632 ' SG ' HG23 ' A' ' 36' ' ' ILE . 26.1 p -108.5 -47.42 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.52 40.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.632 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.4 pp -112.33 144.53 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -116.77 147.9 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.781 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.3 mtp -139.46 128.68 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.705 ' O ' HG23 ' A' ' 43' ' ' VAL . 51.0 m80 -48.7 156.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -51.79 -57.0 16.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.7 -16.17 37.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.339 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 37.6 m -85.66 -30.96 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 38' ' ' MET . 88.4 t -73.67 -46.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -62.99 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -54.13 -32.63 55.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 5.8 t80 -85.42 -24.49 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.619 ' CD2' HD12 ' A' ' 66' ' ' ILE . 20.6 m-85 -119.44 34.22 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.9 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.539 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.715 0.215 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -108.94 128.67 55.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 35.7 t -54.44 127.18 57.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.501 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.8 Cg_endo -69.69 5.49 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CG ' HG21 ' A' ' 36' ' ' ILE . 54.3 t-80 -116.81 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.26 -26.82 18.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 36.0 t-20 74.71 41.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' A' ' 33' ' ' THR . 77.2 m-20 -117.83 144.38 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -37.89 124.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -57.36 114.24 7.84 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.46 -176.93 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.79 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 47' ' ' PHE . 15.9 mm -86.08 135.44 37.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.453 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.81 158.35 57.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.868 0.366 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 t -60.8 169.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -111.93 -25.31 9.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -85.32 -48.13 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.79 -19.16 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.9 m80 62.12 50.16 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -121.23 142.31 50.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.47 118.45 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.7 pp -123.25 164.83 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 pt -126.58 -29.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -138.03 141.85 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.94 -140.34 6.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.683 ' HG3' HG21 ' A' ' 43' ' ' VAL . 26.0 mm-40 -102.95 161.69 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 58.8 p -146.5 150.83 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.03 135.23 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.83 -14.63 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -73.67 -61.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.92 -47.61 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.79 58.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.6 pp -126.08 140.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 11.0 mtp85 -101.15 152.01 21.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.6 mtp -145.33 150.08 35.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 56.5 m80 -72.56 159.67 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.1 mm? -56.0 -56.56 29.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.75 -16.92 37.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 35.4 m -83.32 -37.9 22.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.683 HG21 ' HG3' ' A' ' 29' ' ' GLN . 54.5 t -67.99 -48.47 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.41 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -59.81 -30.84 69.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 15.6 t80 -91.61 -25.22 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CD1' ' CB ' ' A' ' 53' ' ' PRO . 22.8 m-85 -113.14 30.88 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.574 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.808 0.253 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -121.23 126.54 49.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' ASN . 44.3 t -59.52 129.02 86.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.82 5.47 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -117.56 -46.4 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.8 p -118.76 18.34 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' CYS . 62.0 t30 32.62 35.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 58' ' ' CYS . 16.0 t0 -103.26 153.95 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.12 120.44 6.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -49.3 110.94 1.71 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.19 37.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -105.35 177.97 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.95 171.55 13.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' A' ' 47' ' ' PHE . 50.8 mm -105.03 126.03 32.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.78 171.52 14.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 24' ' ' LEU . 35.8 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.522 ' N ' HG22 ' A' ' 17' ' ' ILE . 11.1 t -77.9 167.22 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.44 -7.42 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.36 -49.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.61 -10.93 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 m80 61.49 34.56 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -103.51 139.33 38.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -49.19 123.77 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -117.39 179.62 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -130.42 -66.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -131.67 98.65 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.69 -136.27 3.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' CG ' HG21 ' A' ' 43' ' ' VAL . 3.9 mm100 -105.21 136.2 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -118.48 148.62 42.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.92 127.0 43.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -94.11 24.09 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -112.42 -60.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -104.31 -45.65 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 70.85 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.7 pp -146.02 150.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -113.71 154.09 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.453 ' HB2' HG22 ' A' ' 43' ' ' VAL . 38.8 mtp -146.19 141.3 27.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.895 ' O ' HG23 ' A' ' 43' ' ' VAL . 37.0 m80 -58.81 164.67 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.6 mm? -60.76 -57.74 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.74 -11.81 31.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.9 m -89.26 -20.81 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 39' ' ' HIS . 53.3 t -88.62 -47.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.32 -56.39 22.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.04 -40.0 63.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 5.9 t80 -70.02 -34.24 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -107.12 19.96 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.0 tp60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.836 0.265 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -132.65 117.21 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.5 t -42.95 132.84 3.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.71 6.75 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -117.91 -68.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.92 -3.44 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 41.3 t30 48.08 38.7 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.43 170.14 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -54.57 130.05 38.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 10.8 t-105 -63.59 114.42 13.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.72 -13.39 34.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -109.55 -179.87 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.98 169.61 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -100.12 126.75 35.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.73 174.61 9.23 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t 49.8 42.23 23.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p -78.91 176.86 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.33 159.0 32.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -140.45 172.88 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -155.25 124.44 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.64 59.2 0.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -143.57 124.82 14.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.13 94.36 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 p -122.07 101.35 7.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 7.4 m-85 -130.61 148.39 69.86 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.658 0.742 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.88 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.9 34.22 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.638 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -130.54 51.65 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 16' ' ' LYS . 2.9 m -134.48 -50.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' H ' HG23 ' A' ' 15' ' ' VAL . 26.5 mtmt -134.52 94.12 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.75 141.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -65.9 167.59 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -110.41 -14.23 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.6 mm -97.18 -49.91 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -13.47 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.16 48.69 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -123.64 139.37 54.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -48.74 125.75 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.2 pp -126.79 170.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.25 -59.0 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -114.51 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.04 -130.79 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.408 ' OE1' HG11 ' A' ' 43' ' ' VAL . 13.2 mt-30 -125.65 139.61 53.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 15.6 t -126.4 160.66 29.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -110.21 130.59 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -85.5 -14.91 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -70.39 -51.86 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.23 -47.98 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.61 68.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 pp -136.66 136.51 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -99.59 151.54 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 46.3 mtp -146.3 146.76 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.576 ' O ' HG23 ' A' ' 43' ' ' VAL . 39.7 m80 -67.48 168.82 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.42 -57.55 12.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 48.5 m -93.41 -43.78 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 39' ' ' HIS . 79.6 t -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.19 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -51.54 -22.75 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.5 t80 -95.95 -21.57 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CD2' HD12 ' A' ' 66' ' ' ILE . 23.5 m-85 -118.0 30.77 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.67 136.69 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t 64.83 41.27 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -135.06 165.84 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.49 -60.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -117.83 112.6 38.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.79 54.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.71 2.274 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -133.0 126.15 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.0 t -48.87 127.05 14.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.72 0.67 5.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.529 ' CD2' HG21 ' A' ' 36' ' ' ILE . 42.8 t-80 -106.41 -71.0 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.82 -31.89 40.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.8 t30 67.76 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -116.56 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -175.29 146.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -89.32 108.91 27.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -31.36 20.95 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -86.47 178.21 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -88.58 167.4 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 47' ' ' PHE . 49.1 mm -98.06 122.16 55.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.412 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -100.77 151.77 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -93.48 169.14 10.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -106.21 -179.94 23.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 4.67 2.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 p -88.99 150.46 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.5 t 70.31 44.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.1 p -35.49 128.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -116.65 143.74 45.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.83 148.06 18.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -154.77 164.66 38.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -61.56 91.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.92 -177.2 29.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -66.77 132.52 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.6 pm0 -71.72 114.19 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.448 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 31.2 p -129.84 120.0 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 21.4 m-85 -148.47 152.6 38.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.726 0.774 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.25 31.2 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' C ' HD11 ' A' ' 24' ' ' LEU . . . -134.08 41.71 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.83 -26.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.75 115.91 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.486 HD13 HD22 ' A' ' 24' ' ' LEU . 42.0 mm -94.51 143.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 38' ' ' MET . 11.4 t -66.3 167.58 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -112.38 -18.83 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mm -91.54 -43.09 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 p -113.0 -20.18 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.3 m80 66.17 49.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -124.88 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.627 HD11 ' C ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -48.8 131.5 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 pp -133.83 170.22 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 26' ' ' ILE . 5.2 mp -133.26 -42.42 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -129.59 121.92 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.67 -144.49 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.59 ' HB2' HG21 ' A' ' 43' ' ' VAL . 29.2 mm-40 -107.44 152.27 24.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 60.6 p -137.39 159.75 41.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.83 141.37 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -97.6 -16.45 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -71.6 -61.42 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -102.96 -46.18 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.81 69.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.62 146.9 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NE ' ' HB3' ' A' ' 30' ' ' SER . 19.6 mmt180 -107.99 148.86 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.656 ' HB2' HG22 ' A' ' 43' ' ' VAL . 36.5 mtp -145.71 132.48 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.757 ' O ' HG23 ' A' ' 43' ' ' VAL . 45.8 m80 -54.15 170.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.7 mm? -63.14 -57.76 19.35 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.6 0.714 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.77 -11.39 30.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.3 m -87.05 -37.36 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 39' ' ' HIS . 87.5 t -69.76 -45.44 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 69' ' ' SER . . . -70.82 -49.74 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -49.91 -23.63 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 9.9 t80 -96.06 -22.94 17.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 22.5 m-85 -120.43 38.1 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -109.06 -28.94 8.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p -93.03 -34.19 13.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -86.66 157.27 19.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.11 -53.48 6.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -99.85 114.66 65.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -119.9 126.71 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.5 t -49.75 126.55 18.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.76 5.77 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -113.27 -64.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 9.9 p -88.72 -23.3 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 10.2 t-20 72.36 38.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -112.76 160.64 17.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 12.0 t80 -55.43 129.66 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.523 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 7.9 t-105 -61.41 116.87 22.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.584 0.707 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.63 16.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 65' ' ' GLU . 6.8 t-80 -91.81 179.81 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 9.8 pt-20 -86.15 165.79 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.44 124.8 52.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.37 24.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.28 150.93 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HB3' ' HB1' ' A' ' 44' ' ' ALA . 81.9 p -131.94 158.12 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.55 167.27 11.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 114.69 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.4 m -159.83 143.38 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.3 p -90.13 41.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.459 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -141.56 172.97 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -151.93 177.51 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.46 -157.15 8.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -154.47 174.0 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -172.14 174.31 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.46 171.28 14.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -85.36 176.25 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -141.62 -177.83 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -80.28 146.91 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.67 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 74.6 m-85 -144.56 152.63 53.53 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.656 0.741 . . . . 0.0 110.963 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.95 38.3 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.67 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -129.94 49.9 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.748 HG22 HD21 ' A' ' 24' ' ' LEU . 11.2 m -137.32 -178.35 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -31.15 115.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -101.47 146.54 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -59.74 166.77 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -115.1 -21.31 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.413 HD11 ' HE3' ' A' ' 38' ' ' MET . 20.5 mm -90.58 -37.74 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -117.93 -19.42 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 t60 68.98 25.6 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -100.54 141.43 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -53.59 135.49 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.56 172.26 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.11 -42.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -143.04 135.38 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.45 -118.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.563 ' HG3' HG21 ' A' ' 43' ' ' VAL . 26.5 mm-40 -123.42 147.34 47.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 p -132.39 157.69 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.9 t -106.69 120.94 43.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.11 27.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.8 m -117.55 -58.61 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -106.92 -47.36 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.36 72.32 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.02 143.12 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.584 ' HD3' HD11 ' A' ' 25' ' ' LEU . 10.0 mtp180 -110.58 151.2 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.584 ' HB2' HG22 ' A' ' 43' ' ' VAL . 32.2 mtp -144.99 131.52 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.652 ' O ' HG23 ' A' ' 43' ' ' VAL . 65.3 m80 -53.41 173.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -64.7 -57.58 16.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.77 -14.12 35.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m -83.74 -30.88 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 39' ' ' HIS . 97.3 t -81.29 -46.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -57.35 -54.51 46.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -49.82 -29.77 8.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 3.0 t80 -89.44 -28.98 19.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -121.19 39.49 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -106.12 129.43 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 3.2 m 47.11 53.49 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -146.61 156.2 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . . . -57.82 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' ALA . 46.3 mm-40 -33.07 126.71 0.4 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.75 67.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -144.52 122.46 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 43.9 t -48.42 129.33 13.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.75 -9.27 25.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -91.72 -69.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.33 -40.43 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 7.7 t-20 74.94 52.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.94 -63.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 71.6 t80 -175.72 148.89 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -89.16 108.12 22.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.586 0.707 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.81 -5.42 16.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -117.62 176.13 5.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.3 163.63 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 67' ' ' PRO . 40.5 mm -89.9 134.15 32.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 66' ' ' ILE . 53.4 Cg_endo -69.75 173.08 11.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.25 133.6 48.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -89.3 125.66 35.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.31 173.42 39.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -2.81 10.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.236 . . . . 0.0 112.294 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -67.52 166.4 14.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 m -158.95 167.98 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -174.18 176.49 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -77.84 169.05 18.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.33 91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -105.53 133.61 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -92.61 119.76 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.26 128.51 4.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -112.36 100.01 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 10.3 pt-20 -98.05 -33.44 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 9' ' ' GLU . 16.9 p -31.68 128.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.93 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 1.9 m-85 -112.11 153.06 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.93 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.401 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -7.02 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.93 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -84.23 30.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 11' ' ' TYR . 10.0 m -134.86 -171.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -65.86 95.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.9 mm -112.41 141.62 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -61.37 164.88 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.27 -9.28 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.404 HD11 ' HE3' ' A' ' 38' ' ' MET . 47.6 mm -101.27 -48.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.01 0.67 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m80 49.32 36.29 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -105.78 157.42 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.1 tm? -69.73 127.73 33.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -119.88 163.74 17.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -126.04 -29.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -151.05 119.68 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.01 -145.34 4.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' OE1' HG11 ' A' ' 43' ' ' VAL . 18.2 mt-30 -105.94 159.29 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 m -144.89 156.96 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.9 t -101.31 131.94 47.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -82.57 -15.97 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.8 m -71.73 -69.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 36' ' ' ILE . 15.7 p -88.38 -48.36 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 36.14 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.481 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -101.77 160.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 59.7 mtt180 -122.46 152.33 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.404 ' HE3' HD11 ' A' ' 20' ' ' ILE . 48.9 mtp -145.84 149.88 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 43' ' ' VAL . 61.4 m80 -67.23 172.7 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -68.61 -57.74 7.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.76 -11.99 31.97 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 m -87.46 -30.87 20.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 39' ' ' HIS . 96.8 t -77.58 -47.5 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -58.83 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -47.18 -24.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.61 -24.58 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CE2' HG13 ' A' ' 43' ' ' VAL . 22.8 m-85 -119.02 23.86 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 tt0 -113.04 -33.44 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -76.4 -43.7 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -90.97 178.17 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.81 -64.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.15 111.36 40.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.73 124.32 10.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.427 ' CD ' ' O ' ' A' ' 59' ' ' ASN . 9.1 mmt85 -120.04 138.49 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 12.1 t -64.86 125.23 88.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 5.29 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CG ' HG21 ' A' ' 36' ' ' ILE . 17.7 t60 -116.28 -47.71 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.8 p -120.68 21.05 11.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' CYS . 9.4 m120 31.27 50.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.2 154.31 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.02 123.13 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -60.1 115.65 14.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -67.42 173.31 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.7 171.39 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.27 126.03 37.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 158.51 56.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -115.41 -63.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.3 m -117.83 164.01 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.85 162.33 42.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.58 54.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.6 p -53.27 -44.37 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 p -149.12 130.52 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.518 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -83.05 177.86 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.381 . . . . 0.0 110.809 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 61.73 43.14 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.07 68.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -90.0 128.78 36.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -68.11 138.55 55.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.76 -146.17 13.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mmt-85 -46.03 103.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.57 162.83 27.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.471 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 7.4 t -106.72 156.96 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 1.034 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 m-85 -135.12 154.74 79.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -43.58 2.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.7 -10.29 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.034 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -81.95 33.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 11' ' ' TYR . 5.9 m -154.21 -175.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.59 99.11 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 24' ' ' LEU . 22.4 mm -113.88 154.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' N ' HG22 ' A' ' 17' ' ' ILE . 13.6 t -72.53 166.28 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.28 -15.33 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.83 -54.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.03 -9.98 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.1 m170 60.95 36.41 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -109.21 157.22 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.658 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -64.2 134.98 55.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.3 pp -132.11 170.28 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 tt -129.94 -31.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -145.76 127.28 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.28 -140.0 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -115.93 138.21 51.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -117.72 161.69 19.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -108.02 141.3 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -94.3 -18.0 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.7 m -71.49 -60.17 2.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 p -105.22 -47.0 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.54 70.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.694 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -135.61 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -97.16 150.03 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.648 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 55.7 mtp -143.07 151.47 40.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.756 ' O ' HG23 ' A' ' 43' ' ' VAL . 55.8 m80 -67.44 172.35 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -69.69 -57.45 6.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.73 -12.14 32.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.364 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.7 m -87.08 -36.82 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 39' ' ' HIS . 82.4 t -70.23 -45.02 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -66.28 -54.55 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -23.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -95.32 -23.93 16.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -123.19 31.26 6.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.9 tp60 -101.61 133.5 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t 65.35 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -134.47 175.53 9.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.53 -64.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.21 120.81 29.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 156.99 62.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -148.79 121.59 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -46.61 131.13 8.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.648 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.3 Cg_endo -69.83 -3.51 12.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -104.9 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.0 p -82.61 -35.08 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.35 48.3 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -110.21 -60.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -175.16 137.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -84.22 112.92 44.95 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.736 2.29 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' CG ' ' H ' ' A' ' 65' ' ' GLU . 13.2 t-80 -72.28 179.26 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 13.0 pt-20 -90.12 167.26 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mm -95.44 127.2 42.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.74 48.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -113.57 151.46 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 t -82.32 151.82 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.77 167.06 49.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.7 7.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 t -170.25 151.7 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.8 p -87.26 162.41 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.493 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -94.88 138.96 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -170.25 146.58 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 107.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -100.28 137.9 38.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -144.45 169.1 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.87 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.633 ' O ' HG23 ' A' ' 10' ' ' THR . 30.2 ttp180 -50.6 156.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' ARG . 10.9 pt-20 -35.88 133.58 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 8' ' ' ARG . 47.6 p -134.28 141.36 46.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.751 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 10.3 m-85 -143.06 152.61 58.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.651 0.739 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -50.92 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -132.91 45.25 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -132.85 26.06 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 24' ' ' LEU . 3.3 m -131.86 -172.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' N ' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.05 98.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.403 HD13 HD22 ' A' ' 24' ' ' LEU . 51.0 mm -115.95 144.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -59.92 166.4 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -113.45 -9.9 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.9 -46.12 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.57 -14.33 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.83 40.3 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -51.51 135.18 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.833 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -126.19 168.57 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.57 -38.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -135.01 -71.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' GLN . . . 44.68 -171.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' HB2' HG21 ' A' ' 43' ' ' VAL . 4.0 mm-40 -92.26 171.11 9.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -146.56 161.15 41.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 t -115.11 133.0 56.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.68 -11.14 29.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.8 m -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -104.06 -48.33 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.32 69.38 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.532 HG21 ' ND1' ' A' ' 57' ' ' HIS . 2.7 pp -138.16 144.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -109.59 148.35 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.5 mtp -143.03 163.35 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.4 m80 -79.14 171.74 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -68.66 -57.5 8.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.81 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 47.0 m -91.32 -39.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 39' ' ' HIS . 90.1 t -71.96 -44.31 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.63 -63.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -48.47 -25.42 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 13.3 t80 -89.44 -24.0 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CE2' HG13 ' A' ' 43' ' ' VAL . 22.1 m-85 -121.77 24.18 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 -110.32 -36.8 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 t -74.89 -46.95 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -80.23 174.89 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.85 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.41 116.36 65.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -117.63 119.88 36.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.0 t -46.86 129.61 8.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.78 -1.18 8.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.532 ' ND1' HG21 ' A' ' 36' ' ' ILE . 20.5 t60 -103.55 -70.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.4 p -81.34 -33.55 32.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.8 t30 66.21 50.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -119.29 -64.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -174.18 135.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -82.47 110.69 23.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -63.97 167.71 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.79 160.38 27.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.5 mm -93.86 126.03 50.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.685 0.755 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.15 22.36 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.716 2.278 . . . . 0.0 112.386 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -109.64 144.28 38.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 23.7 p -63.09 133.59 54.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.75 165.96 35.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.23 36.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.2 t -171.07 131.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -144.71 157.14 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -133.29 142.49 48.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -150.41 160.26 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -158.18 15.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -142.97 161.9 36.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -174.94 166.64 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.7 -152.9 8.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -56.57 179.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.302 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.5 176.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -124.08 146.83 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.621 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 93.1 m-85 -156.59 143.75 13.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -53.59 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -134.76 44.65 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 11' ' ' TYR . . . -132.08 21.84 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 11' ' ' TYR . 6.5 m -132.06 -171.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 94.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 mm -111.92 140.76 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.99 167.1 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.94 -19.28 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.664 HD11 ' HE3' ' A' ' 38' ' ' MET . 20.7 mm -91.34 -39.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.87 -19.17 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 68.21 30.47 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -102.15 159.29 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.71 127.16 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.7 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -124.94 176.62 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 27' ' ' GLN . 5.4 tp -132.1 -42.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.454 ' N ' HG23 ' A' ' 26' ' ' ILE . 21.6 pt20 -137.65 127.6 25.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.22 -143.71 5.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' CG ' HG21 ' A' ' 43' ' ' VAL . 3.8 mm100 -102.72 157.77 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -142.33 160.08 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 t -99.84 122.53 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -83.54 20.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.404 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 87.7 m -114.41 -59.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 p -101.24 -50.22 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.57 52.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.556 HG21 ' CD2' ' A' ' 57' ' ' HIS . 2.7 pp -118.43 140.85 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -104.43 150.29 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.664 ' HE3' HD11 ' A' ' 20' ' ' ILE . 28.8 mtp -145.47 134.89 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . 66.6 m80 -55.83 166.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -62.11 -57.26 24.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 -17.68 37.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.28 . . . . 0.0 112.322 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 50.5 m -81.73 -39.11 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' HIS . 82.5 t -65.39 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -60.27 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -51.81 -31.51 27.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -91.0 -21.59 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 14.3 m-85 -125.5 47.79 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -113.02 -18.38 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.8 p -112.3 -64.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.29 155.31 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.06 -63.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -83.35 111.01 27.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 54.5 Cg_endo -69.75 116.71 4.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -107.24 137.37 45.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.9 t -71.15 125.22 91.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 5.23 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 36' ' ' ILE . 50.4 t-80 -111.25 -52.28 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.0 p -117.75 22.99 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' CYS . 4.0 t-20 32.19 36.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.3 t70 -101.92 160.44 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.78 122.25 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -53.89 109.94 1.8 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.498 0.666 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.16 9.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -79.46 175.91 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -87.71 162.6 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 mm -93.29 131.3 33.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.75 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -126.92 131.1 51.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -76.17 111.0 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.79 169.28 26.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.88 12.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -103.63 119.62 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.9 p -107.21 168.52 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.469 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -164.95 169.5 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -120.4 144.1 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 68.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -103.04 82.24 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -73.84 167.21 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -122.27 0.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.54 152.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -163.97 118.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -174.52 130.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.602 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 57.5 m-85 -148.17 153.7 41.62 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.14 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.38 -21.84 7.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -77.37 47.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.7 -33.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -65.79 114.45 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 24' ' ' LEU . 44.6 mm -84.79 128.8 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -45.66 167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -112.71 -18.84 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.4 mm -89.39 -49.5 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -106.23 -19.37 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 65.49 53.55 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -126.43 157.51 38.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -64.08 122.0 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 pp -125.61 158.15 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 27' ' ' GLN . 8.2 tt -124.7 -44.0 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 26' ' ' ILE . 3.8 tt0 -123.79 125.59 44.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.46 -136.42 2.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HB2' HG21 ' A' ' 43' ' ' VAL . 30.7 mm-40 -109.73 159.79 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -142.06 156.6 45.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -108.99 138.82 44.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.01 -10.75 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -76.59 -60.06 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -104.06 -47.08 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 79.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.6 pp -151.35 154.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -119.22 150.03 40.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.492 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 34.0 mtp -140.66 150.45 43.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 43' ' ' VAL . 50.2 m80 -66.86 171.08 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.32 -57.84 11.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.584 0.707 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.75 -10.09 27.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.361 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 m -90.29 -33.45 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' HIS . 61.2 t -76.49 -43.12 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -67.86 -59.99 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -47.44 -21.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -96.39 -24.64 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' ALA . 22.8 m-85 -117.38 32.42 6.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 tt0 -42.59 166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' GLN . 5.9 t -30.38 95.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 41.8 p30 -133.33 -175.12 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.49 -52.22 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -140.85 113.01 6.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 151.55 69.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mtt85 -139.11 124.26 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.6 t -48.21 131.64 12.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 -3.22 11.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -104.29 -70.37 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 p -81.48 -37.97 27.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.59 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.38 -65.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -174.28 140.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -84.95 110.63 29.64 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.575 0.702 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.51 7.62 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -83.57 -178.45 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.85 169.85 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.67 125.96 38.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 168.21 22.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.54 157.87 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -75.88 -50.54 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.99 158.25 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.6 m -129.91 113.64 14.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.2 m -120.95 42.56 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.471 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -121.92 165.53 15.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -105.95 165.14 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.56 170.81 9.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 p -132.39 109.66 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.826 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -165.24 155.9 13.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.24 -165.35 11.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -135.48 133.47 38.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.719 0.295 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.29 89.02 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -114.23 145.74 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.78 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 13.7 m-85 -143.89 152.01 54.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.714 0.768 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.95 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -133.58 36.69 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.78 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -132.45 45.26 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 16' ' ' LYS . 18.0 m -134.04 -50.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' O ' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER 63.07 30.61 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.443 ' CD1' HD22 ' A' ' 24' ' ' LEU . 25.9 mm -53.07 133.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -49.45 165.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -111.78 -22.84 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.0 mm -82.38 -49.32 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.91 -23.11 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.1 m80 70.3 42.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -111.08 134.32 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -43.67 123.83 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.583 HD11 ' O ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -118.13 -174.49 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' GLN . 2.5 tp -130.79 -42.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' N ' HG23 ' A' ' 26' ' ' ILE . 50.1 tp60 -129.93 -74.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 46.19 -156.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -106.2 156.78 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 p -132.27 158.22 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.2 t -106.15 129.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.8 27.41 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -116.94 -53.91 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.5 p -111.41 -51.43 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.95 56.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.7 pp -126.71 150.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -118.21 148.22 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.619 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 37.6 mtp -143.21 136.17 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.506 ' O ' HG23 ' A' ' 43' ' ' VAL . 31.2 m80 -55.02 161.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -57.25 -56.81 29.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.76 -9.67 26.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 30.8 m -90.08 -30.8 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 39' ' ' HIS . 81.4 t -77.38 -45.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -59.49 -65.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 -22.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.7 t80 -92.43 -28.58 16.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ALA . 21.6 m-85 -118.64 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tt0 -110.92 -36.09 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -74.5 -42.35 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 46' ' ' TYR . 4.4 p30 -84.6 -179.09 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.14 -59.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -98.2 120.71 59.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 131.1 20.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -133.37 115.62 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.8 t -39.66 127.94 1.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.619 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 54.0 Cg_endo -69.7 -0.62 7.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.403 ' CG ' HG21 ' A' ' 36' ' ' ILE . 46.7 t-80 -105.96 -70.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.8 p -80.44 -34.02 36.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 68.55 47.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.0 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -175.03 136.48 0.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -82.33 111.38 27.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -67.26 164.12 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.95 166.11 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.5 mm -95.2 126.08 47.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -118.86 -61.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t -165.69 117.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.72 179.01 4.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.54 47.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.359 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.8 t -39.53 -47.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 m -107.4 112.53 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.491 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -129.44 92.64 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.826 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -150.25 151.89 33.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.11 101.54 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 m -115.55 42.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -61.08 171.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.66 -141.51 7.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -38.33 144.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -88.35 47.25 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.54 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 81.9 p -110.09 130.64 55.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 10' ' ' THR . 44.8 m-85 -154.1 153.15 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.42 -33.83 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.22 68.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' H ' HD21 ' A' ' 24' ' ' LEU . 27.5 m -145.66 172.49 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HB3' HD11 ' A' ' 25' ' ' LEU . 41.9 mttm 57.55 32.95 22.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 24' ' ' LEU . 50.3 mm -55.28 138.97 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.8 166.99 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -112.64 -18.73 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.17 -45.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -112.64 -18.82 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 m80 72.0 27.84 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 m -104.25 146.25 29.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -54.04 135.93 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.3 pp -134.81 153.66 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.497 HG13 ' NE2' ' A' ' 27' ' ' GLN . 46.4 pt -134.88 -31.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.497 ' NE2' HG13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -122.11 48.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -115.94 173.77 14.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.647 ' HB2' HG21 ' A' ' 43' ' ' VAL . 4.0 mm100 -71.57 166.57 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -145.3 160.67 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.91 135.32 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -93.51 -12.02 30.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -74.42 -59.99 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.6 -49.69 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.86 56.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 57' ' ' HIS . 2.6 pp -122.48 178.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' NH1' ' HG2' ' A' ' 16' ' ' LYS . 23.0 mtt85 -141.57 141.68 33.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.665 ' HB2' HG22 ' A' ' 43' ' ' VAL . 24.8 mtp -140.23 139.48 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.843 ' O ' HG23 ' A' ' 43' ' ' VAL . 44.5 m80 -55.81 168.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -62.29 -57.74 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.4 m -91.34 -33.39 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 39' ' ' HIS . 45.7 t -75.11 -45.49 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -64.04 -55.57 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -48.12 -25.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -92.18 -26.24 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CB ' HD12 ' A' ' 66' ' ' ILE . 18.4 m-85 -116.15 26.18 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.9 tp60 -103.55 -37.47 7.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.7 p -81.08 -58.64 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -70.09 153.62 42.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.9 -65.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.06 115.15 55.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 108.77 2.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -109.88 118.96 37.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.16 133.06 7.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.24 18.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' A' ' 36' ' ' ILE . 59.9 t-80 -101.27 -72.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 p -78.58 -38.61 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 70.49 49.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.53 -65.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -174.85 122.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -66.45 111.81 7.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.39 169.56 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.28 163.79 25.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.411 HD12 ' CB ' ' A' ' 47' ' ' PHE . 19.5 mm -93.68 122.84 61.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 175.75 7.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -103.7 131.05 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -87.98 99.2 11.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.23 -179.96 38.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.88 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -77.47 91.88 3.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.2 p -87.05 -45.3 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.516 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -153.63 177.34 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -146.66 144.43 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.36 160.7 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -137.39 151.04 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -113.51 84.45 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.49 50.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -96.97 -66.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 40.04 50.03 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 p -108.2 130.67 55.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.69 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 1.9 m-85 -129.13 152.56 79.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.679 0.752 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -134.65 46.42 2.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.69 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -133.38 13.93 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 24' ' ' LEU . 2.2 m -139.39 -174.57 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' N ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.78 95.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm -117.9 144.53 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -72.96 163.41 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -110.53 -11.03 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.7 mm -97.65 -45.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.92 -12.04 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.4 m80 57.84 51.89 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -126.19 135.19 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.87 121.49 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.702 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 pp -120.19 173.85 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.9 mp -128.36 -44.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -132.37 143.34 49.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.69 -142.38 7.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HB2' HG21 ' A' ' 43' ' ' VAL . 24.3 mm-40 -100.32 153.41 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 85.9 p -137.0 160.28 39.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 t -114.58 137.31 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.47 -7.63 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -79.17 -57.05 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.7 p -109.13 -42.17 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.54 72.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.422 HG21 ' ND1' ' A' ' 57' ' ' HIS . 2.8 pp -140.75 149.28 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 25.5 mtp85 -112.93 148.84 34.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.821 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 42.0 mtp -143.29 136.49 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.6 m80 -57.82 171.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -65.56 -57.24 15.02 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.745 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.7 -13.28 34.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 40.8 m -84.69 -36.85 21.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' HIS . 80.1 t -74.32 -46.84 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.3 -51.54 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.21 -27.16 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 6.1 t80 -85.62 -26.87 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.7 m-85 -120.12 28.98 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 -33.7 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -136.48 126.6 26.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -173.43 174.84 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.97 -41.67 12.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -144.35 115.66 5.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' CB ' HD11 ' A' ' 66' ' ' ILE . 54.0 Cg_endo -69.79 126.96 13.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.385 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 54' ' ' ARG . 17.3 mtm105 -112.35 132.83 54.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.5 t -55.49 129.45 69.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.821 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.8 Cg_endo -69.73 2.24 3.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 28.1 t60 -109.37 -65.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.4 p -87.91 -27.85 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.71 54.45 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.62 -68.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -172.53 138.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -81.21 111.53 25.26 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -27.99 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -95.46 179.54 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.77 163.16 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 53' ' ' PRO . 28.0 mm -86.0 129.29 54.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.72 153.74 24.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.3 p -107.28 91.81 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.51 160.1 33.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.14 13.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.38 166.24 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.5 p -74.77 89.51 2.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.459 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -99.47 91.89 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -96.27 -50.03 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.34 -146.74 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 71.08 43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.915 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -91.57 144.16 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.95 73.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -135.13 140.28 45.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.14 124.06 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.502 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -175.52 135.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.956 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 56.4 m-85 -152.8 152.95 29.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.67 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.365 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -125.88 -3.55 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.956 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -92.26 42.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.714 ' CG2' HD21 ' A' ' 24' ' ' LEU . 27.4 m -130.61 -173.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -41.3 109.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.507 HD13 HD22 ' A' ' 24' ' ' LEU . 12.4 mm -104.5 145.0 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.3 t -58.84 168.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -115.59 -22.85 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CG1' ' HB3' ' A' ' 42' ' ' CYS . 43.7 mm -84.55 -50.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.33 -12.77 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 68.55 25.05 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -100.58 159.94 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.714 HD21 ' CG2' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -65.35 129.3 39.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.8 pp -120.85 163.68 17.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 pt -151.74 117.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 70.01 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.65 -151.12 8.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.677 ' CG ' HG21 ' A' ' 43' ' ' VAL . 2.0 mm100 -88.64 151.35 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -138.68 160.95 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 t -115.12 129.99 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -95.67 -7.34 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -78.17 -51.94 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -111.93 -47.3 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.33 67.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.5 pp -142.36 148.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -116.64 153.97 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.644 ' HB2' HG22 ' A' ' 43' ' ' VAL . 31.0 mtp -145.35 148.47 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.879 ' O ' HG23 ' A' ' 43' ' ' VAL . 49.4 m80 -63.66 167.28 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.546 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.04 -57.37 18.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.76 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 45.5 m -89.04 -37.81 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 39' ' ' HIS . 57.2 t -67.64 -45.12 85.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.52 -53.18 55.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -49.69 -25.42 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.8 t80 -95.2 -21.54 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -122.69 32.96 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 8.1 tp60 -110.96 -42.2 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -72.13 -56.63 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -72.12 171.75 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.05 -62.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.71 111.46 29.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -111.67 120.94 43.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.5 t -45.56 130.66 6.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 1.45 4.42 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -109.44 -69.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -82.26 -30.25 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.2 t30 60.55 54.47 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.07 -65.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -175.07 129.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -75.37 111.98 16.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.63 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -68.42 170.24 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.63 158.06 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -87.65 126.87 60.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 171.88 13.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -111.74 165.73 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.0 p -94.53 161.67 14.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.33 -176.35 22.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.2 p -81.01 110.77 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 m -67.3 -51.28 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -162.53 139.16 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -133.17 166.25 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.35 139.95 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -129.63 173.29 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -59.18 -41.74 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.81 -110.42 2.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -97.03 151.13 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.07 120.19 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.619 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 15.2 p -145.78 145.46 30.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 10' ' ' THR . 4.2 m-85 -148.01 153.17 41.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.664 0.745 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.79 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.5 -40.77 2.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.2 72.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 11' ' ' TYR . 11.6 m -142.43 -175.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 89.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.9 mm -106.02 140.73 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 t -61.41 166.74 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.92 -19.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.27 -42.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.49 -23.55 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 73.03 33.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 m -109.39 157.97 18.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -65.2 132.57 49.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.675 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -129.92 160.17 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 27' ' ' GLN . 7.8 tp -114.46 -44.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.495 ' N ' HG23 ' A' ' 26' ' ' ILE . 2.8 tp-100 -137.45 137.84 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.95 -138.12 4.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.752 ' HG3' HG21 ' A' ' 43' ' ' VAL . 32.9 mm-40 -102.53 158.14 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 p -145.36 161.48 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 t -116.55 141.6 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -102.35 -6.87 22.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -81.73 -57.29 3.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.39 -44.92 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -138.18 141.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HD2' HD11 ' A' ' 25' ' ' LEU . 86.9 mtt180 -106.74 155.34 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.684 ' HB2' HG22 ' A' ' 43' ' ' VAL . 15.0 mtp -145.46 136.41 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.829 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.3 m80 -56.62 170.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.65 -57.6 16.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.681 0.753 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -15.42 36.99 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.1 m -83.72 -36.48 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 39' ' ' HIS . 93.1 t -71.5 -41.85 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -67.22 -45.97 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -53.44 -32.44 49.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 9.2 t80 -85.14 -19.36 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CD1' ' ND2' ' A' ' 50' ' ' ASN . 25.0 m-85 -124.16 32.13 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -45.06 112.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 48' ' ' GLN . 1.1 t 31.8 47.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' ND2' ' CD1' ' A' ' 47' ' ' PHE . 42.2 p-10 -89.39 166.38 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -68.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -107.33 101.68 40.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.4 Cg_endo -69.75 125.59 12.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -120.01 133.54 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 25.4 t -59.78 127.33 85.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 5.84 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -115.24 -62.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 16.7 p -92.8 -23.88 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 14.7 t-20 71.25 41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' TYR . 4.7 m-20 -117.88 145.51 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 18.5 t80 -36.6 129.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.488 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.9 t-105 -62.42 117.54 31.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -10.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -119.08 -176.36 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -94.94 168.56 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 53' ' ' PRO . 24.4 mm -94.39 131.72 30.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.71 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -140.02 128.12 22.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -90.3 118.04 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.77 173.32 39.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.59 60.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.9 p -85.28 -46.83 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.5 p -121.73 -47.47 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.19 -0.784 . . . . 0.0 112.434 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -163.24 165.64 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -158.08 153.66 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 40.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -126.06 87.73 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -87.41 150.87 23.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.17 -93.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -119.38 144.48 46.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -136.83 118.77 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 82.1 p -139.05 138.8 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.671 ' HB2' HG13 ' A' ' 15' ' ' VAL . 15.0 m-85 -146.67 152.77 45.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -49.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.37 -8.32 5.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -87.6 38.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.671 HG13 ' HB2' ' A' ' 11' ' ' TYR . 15.6 m -130.71 -30.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' CB ' ' HD2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -36.88 111.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.411 HD13 HD22 ' A' ' 24' ' ' LEU . 27.4 mm -91.74 141.19 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.78 166.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.95 -11.53 13.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.07 -50.31 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.4 p -105.85 -13.49 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.02 39.86 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.17 150.28 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.76 124.34 19.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 25' ' ' LEU . 2.6 pp -125.34 176.33 6.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.81 -57.07 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -123.57 143.87 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.68 -137.06 4.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -111.46 154.89 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 30.2 t -144.94 161.86 38.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 t -109.11 132.81 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -86.38 -13.87 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.1 m -72.44 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -49.17 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.24 74.12 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.5 pp -140.92 135.62 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HD2' ' CB ' ' A' ' 16' ' ' LYS . 36.0 mtt180 -95.45 151.57 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.466 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.6 mtp -146.65 133.27 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.716 ' O ' HG23 ' A' ' 43' ' ' VAL . 60.6 m80 -55.48 164.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mm? -60.79 -57.31 27.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.71 -13.67 35.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 44.7 m -86.53 -31.5 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 39' ' ' HIS . 88.9 t -75.33 -44.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.98 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -55.43 -17.7 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -93.11 -26.3 17.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CD2' HD12 ' A' ' 66' ' ' ILE . 19.9 m-85 -104.89 9.75 34.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 144.14 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 t 71.1 32.24 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.6 148.13 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.47 -76.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.19 110.32 3.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.604 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.3 Cg_endo -69.78 173.33 11.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HD2' ' C ' ' A' ' 53' ' ' PRO . 2.2 mpt_? -153.74 117.32 4.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.61 127.35 24.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.7 2.79 3.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -112.71 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.8 p -85.36 -25.56 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.1 t30 58.16 44.08 19.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.92 -66.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.403 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 79.0 t80 -175.23 138.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -83.32 110.3 23.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 61' ' ' TYR . 53.8 Cg_endo -69.76 -7.85 22.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -112.53 173.31 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -175.41 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.756 HD12 ' CD2' ' A' ' 47' ' ' PHE . 29.1 mm -111.09 121.24 41.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.89 3.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -134.96 169.9 16.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -116.59 90.43 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.24 170.06 22.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.4 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.7 t -126.32 -56.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.9 m 56.54 42.04 27.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.447 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -94.38 130.78 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -92.45 -52.88 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.25 81.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -122.06 120.18 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 p -40.31 138.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.87 135.82 12.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -84.22 168.62 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -85.42 126.13 33.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.09 132.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 15.7 m-85 -136.91 152.55 74.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.661 0.743 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -134.96 43.06 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.614 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -134.93 36.13 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.4 m -144.48 -176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.633 ' HB3' HD11 ' A' ' 25' ' ' LEU . 2.6 mppt? -64.53 88.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mm -108.67 140.7 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -62.56 168.52 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -114.56 -27.29 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.6 HD11 ' HE3' ' A' ' 38' ' ' MET . 50.4 mm -80.03 -44.02 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.68 -23.82 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 m80 71.09 39.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -114.61 143.94 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.2 tm? -50.91 130.98 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.712 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 pp -127.74 167.97 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.5 mt -96.24 -67.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -126.41 -68.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 48.98 -144.84 7.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.56 ' HB2' HG21 ' A' ' 43' ' ' VAL . 2.6 mm100 -102.3 152.77 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -135.77 160.47 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -114.54 136.09 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.38 -15.51 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.8 m -71.65 -58.59 3.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -104.3 -47.49 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.86 41.49 0.77 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.492 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -112.31 140.77 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' NH1' ' HG3' ' A' ' 16' ' ' LYS . 51.8 mtt85 -104.4 151.5 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.662 ' HB2' HG22 ' A' ' 43' ' ' VAL . 24.0 mtp -144.14 142.15 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.907 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.1 m80 -59.9 166.13 2.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -61.88 -57.69 22.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.2 Cg_endo -69.78 -12.99 33.98 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.276 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.7 m -87.53 -36.46 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 39' ' ' HIS . 65.1 t -67.98 -46.79 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.451 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -65.36 -45.85 82.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -52.55 -25.56 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.4 t80 -95.55 -23.98 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -116.34 35.06 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -99.62 141.78 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t 58.46 38.39 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -133.94 161.53 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.09 -43.32 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.9 104.26 33.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 132.9 24.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -122.25 119.46 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 54.0 t -48.05 129.84 12.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 5.47 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -115.3 -70.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -80.16 -24.74 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 5.8 t-20 71.81 35.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.9 m-20 -117.75 147.57 42.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 43.4 t80 -35.87 125.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -62.74 114.1 11.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.73 4.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -73.82 173.02 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.14 162.06 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.24 126.49 41.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.78 159.53 53.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -79.71 175.25 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.4 p -105.33 -20.76 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.3 169.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.29 68.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -63.62 174.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 p -125.92 93.49 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.508 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -114.77 162.28 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -161.07 170.98 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 124.73 1.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -41.98 163.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -161.4 169.29 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.33 127.91 1.04 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -168.16 170.49 10.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.2 113.41 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 67.7 p -136.2 132.69 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.726 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 27.2 m-85 -149.99 152.04 33.31 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.671 0.748 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.327 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.17 34.94 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.726 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -126.98 29.32 5.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.504 ' C ' ' HE3' ' A' ' 16' ' ' LYS . 1.4 m -142.84 175.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HE3' ' C ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -79.77 100.81 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mm -118.81 137.18 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -62.78 167.27 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 -17.4 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 ' HE3' ' A' ' 38' ' ' MET . 27.5 mm -90.01 -43.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -115.75 -21.21 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m170 70.65 41.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -114.22 145.22 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.31 127.21 21.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.8 pp -127.12 166.8 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.56 -65.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -120.57 113.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.44 -135.22 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HB2' HG21 ' A' ' 43' ' ' VAL . 9.7 mm-40 -118.14 150.29 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -137.62 161.84 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.11 122.27 44.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -84.01 23.65 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 m -115.03 -57.98 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' SG ' HG23 ' A' ' 36' ' ' ILE . 24.2 p -106.3 -47.11 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.32 64.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 pp -130.63 134.59 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' NE ' ' HG3' ' A' ' 16' ' ' LYS . 82.8 mtt-85 -101.29 149.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.619 ' HB2' HG22 ' A' ' 43' ' ' VAL . 28.2 mtp -145.52 132.79 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.596 ' O ' HG23 ' A' ' 43' ' ' VAL . 67.3 m80 -54.0 168.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -61.76 -57.35 24.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -16.09 37.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 36.5 m -82.12 -38.46 24.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' ' 38' ' ' MET . 70.7 t -68.83 -46.77 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.75 72.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -51.98 -29.7 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -92.65 -17.37 24.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -128.05 42.25 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 49' ' ' SER . 22.3 pt20 -87.75 -47.13 8.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 48' ' ' GLN . 86.5 p -111.4 83.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -175.48 159.61 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.62 -59.26 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -106.6 118.56 54.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.26 42.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -129.71 131.64 46.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.1 t -60.42 129.17 88.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.46 12.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -105.06 -69.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.57 -35.45 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.69 45.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -106.24 -65.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -175.46 142.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -87.84 110.88 38.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -42.62 3.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -78.09 176.61 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -89.51 164.27 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.59 127.09 49.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.92 25.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -130.91 128.03 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -89.41 133.95 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.97 176.55 25.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.44 3.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.4 p -109.89 142.44 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.21 150.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -146.36 171.17 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -110.95 177.83 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.34 128.56 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -138.89 175.76 9.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -88.5 176.86 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.57 154.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -155.7 109.64 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 9' ' ' GLU . 1.3 pm0 -81.74 127.87 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.471 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -175.46 133.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 15.6 m-85 -143.91 151.24 52.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.06 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.56 38.31 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.649 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -134.36 29.36 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.518 HG13 ' HB2' ' A' ' 11' ' ' TYR . 5.9 m -134.39 -173.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.7 102.37 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.5 mm -119.75 151.87 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 12.2 t -75.36 167.01 22.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.66 -12.84 12.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.481 HD11 ' HE3' ' A' ' 38' ' ' MET . 27.0 mm -93.19 -39.13 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -121.15 -14.35 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.9 m170 62.71 48.68 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -126.12 148.75 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -53.17 129.3 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.512 HD21 ' HG3' ' A' ' 37' ' ' ARG . 1.2 pp -124.56 173.93 8.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -164.27 129.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 61.96 46.15 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.88 -154.57 9.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.567 ' HB2' HG21 ' A' ' 43' ' ' VAL . 26.5 mm-40 -92.19 133.98 35.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -127.63 148.28 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.14 124.95 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -92.65 21.43 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.7 m -113.79 -62.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 p -94.23 -49.97 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.61 27.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.484 HD12 ' C ' ' A' ' 36' ' ' ILE . 1.9 pp -113.99 141.3 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HG3' HD21 ' A' ' 25' ' ' LEU . 9.4 ptp180 -122.64 163.93 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.571 ' HB2' HG22 ' A' ' 43' ' ' VAL . 10.5 mtp -141.56 157.66 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.869 ' O ' HG23 ' A' ' 43' ' ' VAL . 65.1 m80 -65.23 173.84 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.77 -57.25 12.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 -14.09 35.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.5 m -84.79 -38.75 19.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 39' ' ' HIS . 93.2 t -65.97 -50.26 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.54 -51.52 65.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -50.9 -30.11 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -92.46 -18.28 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.97 37.86 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.7 pt20 -105.73 -30.75 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -89.08 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 25.4 p-10 -53.44 157.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.93 -50.32 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 116.02 64.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 119.07 6.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.382 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.5 139.82 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.8 t -68.32 128.44 93.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.53 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -115.77 -68.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.3 p -83.32 -26.67 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 8.4 t30 74.91 38.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.37 153.61 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 6.2 t80 -44.74 129.09 7.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.563 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.5 t-105 -54.01 113.27 4.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 3.61 2.63 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -131.27 178.23 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 29' ' ' GLN . 22.6 pt-20 -82.14 168.72 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mm -104.08 121.09 48.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.423 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -128.87 162.17 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.3 m -53.65 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.05 172.38 39.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.83 36.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.391 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -87.47 154.38 20.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.4 p 39.36 42.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.531 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -83.27 114.85 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -151.69 148.43 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 -171.16 43.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -83.93 42.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m -86.35 170.92 11.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.43 76.47 0.31 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 10' ' ' THR . 16.7 ttp180 -86.73 133.32 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 9' ' ' GLU . 1.2 pm0 -51.2 117.5 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 8' ' ' ARG . 44.2 p -127.74 88.25 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 4.3 m-85 -139.31 150.12 63.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.681 0.753 . . . . 0.0 110.943 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -132.22 41.5 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.762 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -132.01 31.44 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.872 HG21 ' CD2' ' A' ' 24' ' ' LEU . 33.9 m -134.81 -173.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.582 ' O ' HD11 ' A' ' 25' ' ' LEU . 1.6 mppt? -75.48 56.28 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.97 145.72 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.97 166.03 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.481 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -111.74 -18.73 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.97 -42.66 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.83 -18.19 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.5 t60 66.21 31.2 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -100.58 164.49 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.872 ' CD2' HG21 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -71.67 129.31 38.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.772 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.86 162.92 30.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -130.6 -44.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -130.16 119.72 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.24 -139.57 3.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.666 ' CG ' HG21 ' A' ' 43' ' ' VAL . 15.5 mm100 -102.16 137.31 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -121.93 161.97 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.93 117.68 34.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -83.68 30.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.435 HG21 ' OD2' ' A' ' 60' ' ' ASP . 86.0 m -120.89 -56.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.632 ' SG ' HG23 ' A' ' 36' ' ' ILE . 26.1 p -108.5 -47.42 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.52 40.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.632 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.4 pp -112.33 144.53 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -116.77 147.9 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.781 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.3 mtp -139.46 128.68 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.705 ' O ' HG23 ' A' ' 43' ' ' VAL . 51.0 m80 -48.7 156.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -51.79 -57.0 16.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.7 -16.17 37.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.339 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 37.6 m -85.66 -30.96 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 38' ' ' MET . 88.4 t -73.67 -46.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -62.99 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -54.13 -32.63 55.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 5.8 t80 -85.42 -24.49 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.619 ' CD2' HD12 ' A' ' 66' ' ' ILE . 20.6 m-85 -119.44 34.22 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.9 tt0 -42.51 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 48' ' ' GLN . 6.2 t 31.93 48.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -86.84 -176.32 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.35 -70.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -112.39 105.98 55.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.539 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.6 Cg_endo -69.69 115.95 4.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -108.94 128.67 55.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 35.7 t -54.44 127.18 57.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.501 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.8 Cg_endo -69.69 5.49 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CG ' HG21 ' A' ' 36' ' ' ILE . 54.3 t-80 -116.81 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.26 -26.82 18.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 36.0 t-20 74.71 41.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' A' ' 33' ' ' THR . 77.2 m-20 -117.83 144.38 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -37.89 124.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -57.36 114.24 7.84 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.46 -176.93 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.79 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 47' ' ' PHE . 15.9 mm -86.08 135.44 37.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.453 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.81 158.35 57.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -93.77 147.12 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 t -103.0 41.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.74 162.93 37.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 152.72 69.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.7 m -78.99 126.37 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.6 p -65.41 -48.27 73.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.506 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -66.65 165.2 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -54.54 103.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.1 -78.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 54.31 41.41 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -88.14 122.16 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -87.6 159.57 30.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' O ' HG23 ' A' ' 10' ' ' THR . 11.3 ptt180 38.28 34.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.316 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -44.52 130.06 6.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 8' ' ' ARG . 33.7 p -131.71 152.33 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.715 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 12.2 m-85 -154.23 153.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.06 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -130.74 36.98 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -134.75 38.09 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.45 -2.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.06 103.12 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -78.22 139.29 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 t -60.8 169.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -111.93 -25.31 9.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -85.32 -48.13 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.79 -19.16 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.9 m80 62.12 50.16 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -121.23 142.31 50.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.47 118.45 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.7 pp -123.25 164.83 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 pt -126.58 -29.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -138.03 141.85 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.94 -140.34 6.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.683 ' HG3' HG21 ' A' ' 43' ' ' VAL . 26.0 mm-40 -102.95 161.69 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 58.8 p -146.5 150.83 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.03 135.23 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.83 -14.63 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -73.67 -61.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.92 -47.61 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.79 58.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.6 pp -126.08 140.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 11.0 mtp85 -101.15 152.01 21.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.6 mtp -145.33 150.08 35.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 56.5 m80 -72.56 159.67 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.1 mm? -56.0 -56.56 29.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.75 -16.92 37.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 35.4 m -83.32 -37.9 22.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.683 HG21 ' HG3' ' A' ' 29' ' ' GLN . 54.5 t -67.99 -48.47 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.41 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -59.81 -30.84 69.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 15.6 t80 -91.61 -25.22 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CD1' ' CB ' ' A' ' 53' ' ' PRO . 22.8 m-85 -113.14 30.88 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -43.99 169.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 48' ' ' GLN . 3.1 m -32.34 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 48' ' ' GLN . 18.2 p30 -141.21 -175.26 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 6.4 mp0 -118.93 107.73 41.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.574 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 143.32 50.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -121.23 126.54 49.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' ASN . 44.3 t -59.52 129.02 86.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.82 5.47 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -117.56 -46.4 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.8 p -118.76 18.34 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' CYS . 62.0 t30 32.62 35.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 58' ' ' CYS . 16.0 t0 -103.26 153.95 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.12 120.44 6.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -49.3 110.94 1.71 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.19 37.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -105.35 177.97 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.95 171.55 13.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' A' ' 47' ' ' PHE . 50.8 mm -105.03 126.03 32.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.78 171.52 14.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -97.37 158.14 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -112.71 83.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 162.14 32.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 153.69 68.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -44.11 -54.72 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -157.5 151.67 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.507 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -92.64 138.95 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -108.73 132.91 53.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.48 148.43 26.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.471 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' GLY . 20.2 m -34.67 112.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -110.15 94.04 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.38 -143.35 14.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -46.71 135.77 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -113.51 179.96 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -85.28 143.72 28.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 5.8 m-85 -131.35 153.26 81.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -53.01 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.34 45.87 2.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -134.98 27.93 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG21 HD21 ' A' ' 24' ' ' LEU . 5.5 m -143.84 -174.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -55.69 97.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 24' ' ' LEU . 35.8 mm -113.09 158.56 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.522 ' N ' HG22 ' A' ' 17' ' ' ILE . 11.1 t -77.9 167.22 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.44 -7.42 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.36 -49.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.61 -10.93 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 m80 61.49 34.56 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -103.51 139.33 38.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD21 HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -49.19 123.77 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -117.39 179.62 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -130.42 -66.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -131.67 98.65 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.69 -136.27 3.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' CG ' HG21 ' A' ' 43' ' ' VAL . 3.9 mm100 -105.21 136.2 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -118.48 148.62 42.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.92 127.0 43.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -94.11 24.09 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -112.42 -60.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -104.31 -45.65 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 70.85 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.7 pp -146.02 150.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -113.71 154.09 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.453 ' HB2' HG22 ' A' ' 43' ' ' VAL . 38.8 mtp -146.19 141.3 27.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.895 ' O ' HG23 ' A' ' 43' ' ' VAL . 37.0 m80 -58.81 164.67 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.6 mm? -60.76 -57.74 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.74 -11.81 31.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.9 m -89.26 -20.81 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 39' ' ' HIS . 53.3 t -88.62 -47.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.32 -56.39 22.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.04 -40.0 63.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 5.9 t80 -70.02 -34.24 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -107.12 19.96 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.0 tp60 -92.23 155.22 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m 49.46 52.68 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 30.7 p30 -149.89 -178.93 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.05 -65.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.98 121.05 31.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 138.48 37.78 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.286 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -132.65 117.21 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.5 t -42.95 132.84 3.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.71 6.75 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -117.91 -68.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.92 -3.44 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 41.3 t30 48.08 38.7 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.43 170.14 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -54.57 130.05 38.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 10.8 t-105 -63.59 114.42 13.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.72 -13.39 34.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -109.55 -179.87 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.98 169.61 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -100.12 126.75 35.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.73 174.61 9.23 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -98.41 153.17 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.6 p -124.0 43.55 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.43 164.19 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -178.21 2.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -119.57 146.09 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.4 p -118.79 41.57 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -65.9 167.59 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -110.41 -14.23 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.6 mm -97.18 -49.91 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -13.47 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.16 48.69 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -123.64 139.37 54.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -48.74 125.75 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.2 pp -126.79 170.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.25 -59.0 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -114.51 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.04 -130.79 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.408 ' OE1' HG11 ' A' ' 43' ' ' VAL . 13.2 mt-30 -125.65 139.61 53.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 15.6 t -126.4 160.66 29.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -110.21 130.59 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -85.5 -14.91 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -70.39 -51.86 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.23 -47.98 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.61 68.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 pp -136.66 136.51 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -99.59 151.54 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 46.3 mtp -146.3 146.76 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.576 ' O ' HG23 ' A' ' 43' ' ' VAL . 39.7 m80 -67.48 168.82 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.42 -57.55 12.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 48.5 m -93.41 -43.78 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 39' ' ' HIS . 79.6 t -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.19 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -51.54 -22.75 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.5 t80 -95.95 -21.57 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CD2' HD12 ' A' ' 66' ' ' ILE . 23.5 m-85 -118.0 30.77 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.148 0 CA-C-O 120.782 0.242 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -133.0 126.15 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.0 t -48.87 127.05 14.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.72 0.67 5.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.528 ' CG ' HG21 ' A' ' 36' ' ' ILE . 36.4 t60 -106.41 -71.0 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.82 -31.89 40.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.8 t30 67.76 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -116.56 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -175.29 146.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -89.32 108.91 27.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -31.36 20.95 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -86.47 178.21 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -88.58 167.4 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 47' ' ' PHE . 49.1 mm -98.06 122.16 55.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.412 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.486 HD13 HD22 ' A' ' 24' ' ' LEU . 42.0 mm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.84 0.353 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 38' ' ' MET . 11.4 t -66.3 167.58 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -112.38 -18.83 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mm -91.54 -43.09 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 p -113.0 -20.18 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.3 m80 66.17 49.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -124.88 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.602 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -48.8 131.5 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 pp -133.83 170.22 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 26' ' ' ILE . 5.2 mp -133.26 -42.42 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -129.59 121.92 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.67 -144.49 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.59 ' HB2' HG21 ' A' ' 43' ' ' VAL . 29.2 mm-40 -107.44 152.27 24.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 60.6 p -137.39 159.75 41.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.83 141.37 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -97.6 -16.45 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -71.6 -61.42 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.6 p -102.96 -46.18 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.81 69.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.62 146.9 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NE ' ' HB3' ' A' ' 30' ' ' SER . 19.6 mmt180 -107.99 148.86 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.656 ' HB2' HG22 ' A' ' 43' ' ' VAL . 36.5 mtp -145.71 132.48 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.757 ' O ' HG23 ' A' ' 43' ' ' VAL . 45.8 m80 -54.15 170.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.7 mm? -63.14 -57.76 19.35 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.6 0.714 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.77 -11.39 30.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.3 m -87.05 -37.36 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 39' ' ' HIS . 87.5 t -69.76 -45.44 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.82 -49.74 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -49.91 -23.63 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 9.9 t80 -96.06 -22.94 17.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 22.5 m-85 -120.43 38.1 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.797 0.249 . . . . 0.0 112.297 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -119.9 126.71 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.5 t -49.75 126.55 18.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.76 5.77 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 41.0 t60 -113.27 -64.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 9.9 p -88.72 -23.3 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 10.2 t-20 72.36 38.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -112.76 160.64 17.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 12.0 t80 -55.43 129.66 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.523 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 7.9 t-105 -61.41 116.87 22.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.584 0.707 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.63 16.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.419 ' CD2' ' OE1' ' A' ' 29' ' ' GLN . 33.1 t60 -91.81 179.81 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 9.8 pt-20 -86.15 165.79 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.44 124.8 52.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.37 24.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -59.74 166.77 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -115.1 -21.31 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.413 HD11 ' HE3' ' A' ' 38' ' ' MET . 20.5 mm -90.58 -37.74 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -117.93 -19.42 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 68.98 25.6 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -100.54 141.43 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -53.59 135.49 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.56 172.26 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.11 -42.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -143.04 135.38 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.45 -118.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.563 ' HG3' HG21 ' A' ' 43' ' ' VAL . 26.5 mm-40 -123.42 147.34 47.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 p -132.39 157.69 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.9 t -106.69 120.94 43.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.11 27.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.8 m -117.55 -58.61 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.542 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -106.92 -47.36 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.36 72.32 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.02 143.12 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.584 ' HD3' HD11 ' A' ' 25' ' ' LEU . 10.0 mtp180 -110.58 151.2 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.584 ' HB2' HG22 ' A' ' 43' ' ' VAL . 32.2 mtp -144.99 131.52 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.652 ' O ' HG23 ' A' ' 43' ' ' VAL . 65.3 m80 -53.41 173.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -64.7 -57.58 16.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.77 -14.12 35.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m -83.74 -30.88 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 39' ' ' HIS . 97.3 t -81.29 -46.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -57.35 -54.51 46.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -49.82 -29.77 8.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 3.0 t80 -89.44 -28.98 19.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -121.19 39.49 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.799 0.25 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -144.52 122.46 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 43.9 t -48.42 129.33 13.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.75 -9.27 25.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.542 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 32.6 t60 -91.72 -69.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.33 -40.43 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 7.7 t-20 74.94 52.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.94 -63.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 71.6 t80 -175.72 148.89 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -89.16 108.12 22.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.586 0.707 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.81 -5.42 16.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -117.62 176.13 5.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.3 163.63 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 67' ' ' PRO . 40.5 mm -89.9 134.15 32.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 66' ' ' ILE . 53.4 Cg_endo -69.75 173.08 11.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.9 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.335 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -61.37 164.88 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.27 -9.28 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.404 HD11 ' HE3' ' A' ' 38' ' ' MET . 47.6 mm -101.27 -48.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.01 0.67 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m80 49.32 36.29 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -105.78 157.42 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.1 tm? -69.73 127.73 33.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -119.88 163.74 17.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -126.04 -29.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -151.05 119.68 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.01 -145.34 4.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' OE1' HG11 ' A' ' 43' ' ' VAL . 18.2 mt-30 -105.94 159.29 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 m -144.89 156.96 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.9 t -101.31 131.94 47.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -82.57 -15.97 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.8 m -71.73 -69.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 36' ' ' ILE . 15.7 p -88.38 -48.36 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 36.14 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.481 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -101.77 160.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -122.46 152.33 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.404 ' HE3' HD11 ' A' ' 20' ' ' ILE . 48.9 mtp -145.84 149.88 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 43' ' ' VAL . 61.4 m80 -67.23 172.7 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -68.61 -57.74 7.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.76 -11.99 31.97 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 m -87.46 -30.87 20.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 39' ' ' HIS . 96.8 t -77.58 -47.5 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -58.83 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -47.18 -24.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.61 -24.58 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CE2' HG13 ' A' ' 43' ' ' VAL . 22.8 m-85 -119.02 23.86 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.747 0.228 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.427 ' CD ' ' O ' ' A' ' 59' ' ' ASN . 9.1 mmt85 -120.04 138.49 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 12.1 t -64.86 125.23 88.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 5.29 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CG ' HG21 ' A' ' 36' ' ' ILE . 17.7 t60 -116.28 -47.71 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.8 p -120.68 21.05 11.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' CYS . 9.4 m120 31.27 50.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.2 154.31 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.02 123.13 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -60.1 115.65 14.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -67.42 173.31 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.7 171.39 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.27 126.03 37.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 158.51 56.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 24' ' ' LEU . 22.4 mm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' N ' HG22 ' A' ' 17' ' ' ILE . 13.6 t -72.53 166.28 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -110.28 -15.33 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.83 -54.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.03 -9.98 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.1 m170 60.95 36.41 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -109.21 157.22 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.658 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -64.2 134.98 55.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.3 pp -132.11 170.28 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 tt -129.94 -31.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -145.76 127.28 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.28 -140.0 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.484 ' OE1' ' CD2' ' A' ' 64' ' ' HIS . 11.7 mm-40 -115.93 138.21 51.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -117.72 161.69 19.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -108.02 141.3 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -94.3 -18.0 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.7 m -71.49 -60.17 2.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 24.5 p -105.22 -47.0 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.54 70.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.694 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -135.61 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -97.16 150.03 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.648 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 55.7 mtp -143.07 151.47 40.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.756 ' O ' HG23 ' A' ' 43' ' ' VAL . 55.8 m80 -67.44 172.35 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -69.69 -57.45 6.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.73 -12.14 32.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.364 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.7 m -87.08 -36.82 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 39' ' ' HIS . 82.4 t -70.23 -45.02 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -66.28 -54.55 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -23.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -95.32 -23.93 16.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -123.19 31.26 6.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.9 tp60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.76 0.233 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -148.79 121.59 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -46.61 131.13 8.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.648 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.3 Cg_endo -69.83 -3.51 12.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.412 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 57.1 t60 -104.9 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.0 p -82.61 -35.08 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.35 48.3 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -110.21 -60.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -175.16 137.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -84.22 112.92 44.95 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.736 2.29 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' ' OE1' ' A' ' 29' ' ' GLN . 28.8 t60 -72.28 179.26 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 13.0 pt-20 -90.12 167.26 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mm -95.44 127.2 42.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.74 48.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.403 HD13 HD22 ' A' ' 24' ' ' LEU . 51.0 mm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -59.92 166.4 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -113.45 -9.9 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.9 -46.12 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.57 -14.33 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.83 40.3 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -51.51 135.18 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.833 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -126.19 168.57 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.57 -38.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -135.01 -71.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' GLN . . . 44.68 -171.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' HB2' HG21 ' A' ' 43' ' ' VAL . 4.0 mm-40 -92.26 171.11 9.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -146.56 161.15 41.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 t -115.11 133.0 56.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.68 -11.14 29.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.8 m -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -104.06 -48.33 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.32 69.38 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.532 HG21 ' ND1' ' A' ' 57' ' ' HIS . 2.7 pp -138.16 144.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -109.59 148.35 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.5 mtp -143.03 163.35 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.4 m80 -79.14 171.74 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -68.66 -57.5 8.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.81 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 47.0 m -91.32 -39.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 39' ' ' HIS . 90.1 t -71.96 -44.31 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.63 -63.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -48.47 -25.42 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 13.3 t80 -89.44 -24.0 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CE2' HG13 ' A' ' 43' ' ' VAL . 22.1 m-85 -121.77 24.18 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.761 0.234 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -117.63 119.88 36.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.0 t -46.86 129.61 8.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.78 -1.18 8.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.532 ' ND1' HG21 ' A' ' 36' ' ' ILE . 20.5 t60 -103.55 -70.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.4 p -81.34 -33.55 32.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.8 t30 66.21 50.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -119.29 -64.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -174.18 135.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -82.47 110.69 23.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -63.97 167.71 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.79 160.38 27.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.5 mm -93.86 126.03 50.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.685 0.755 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.15 22.36 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.716 2.278 . . . . 0.0 112.386 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.99 167.1 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -112.94 -19.28 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.664 HD11 ' HE3' ' A' ' 38' ' ' MET . 20.7 mm -91.34 -39.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.87 -19.17 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 68.21 30.47 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -102.15 159.29 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.71 127.16 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.7 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -124.94 176.62 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 27' ' ' GLN . 5.4 tp -132.1 -42.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.454 ' N ' HG23 ' A' ' 26' ' ' ILE . 21.6 pt20 -137.65 127.6 25.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.22 -143.71 5.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.497 ' CG ' HG21 ' A' ' 43' ' ' VAL . 3.8 mm100 -102.72 157.77 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -142.33 160.08 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 t -99.84 122.53 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -83.54 20.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.404 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 87.7 m -114.41 -59.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 13.2 p -101.24 -50.22 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.57 52.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.539 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.7 pp -118.43 140.85 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -104.43 150.29 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.664 ' HE3' HD11 ' A' ' 20' ' ' ILE . 28.8 mtp -145.47 134.89 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . 66.6 m80 -55.83 166.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -62.11 -57.26 24.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 -17.68 37.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.28 . . . . 0.0 112.322 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 50.5 m -81.73 -39.11 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' HIS . 82.5 t -65.39 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -60.27 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -51.81 -31.51 27.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -91.0 -21.59 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 14.3 m-85 -125.5 47.79 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 54.5 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.824 0.26 . . . . 0.0 112.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -107.24 137.37 45.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.9 t -71.15 125.22 91.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 5.23 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.539 ' CG ' HG21 ' A' ' 36' ' ' ILE . 32.0 t60 -111.25 -52.28 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.0 p -117.75 22.99 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' CYS . 2.6 t30 32.19 36.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.3 t70 -101.92 160.44 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.78 122.25 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -53.89 109.94 1.8 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.498 0.666 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.16 9.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -79.46 175.91 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -87.71 162.6 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 mm -93.29 131.3 33.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.75 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 24' ' ' LEU . 44.6 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -45.66 167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -112.71 -18.84 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.4 mm -89.39 -49.5 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -106.23 -19.37 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 65.49 53.55 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -126.43 157.51 38.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -64.08 122.0 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.5 pp -125.61 158.15 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 27' ' ' GLN . 8.2 tt -124.7 -44.0 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 26' ' ' ILE . 3.8 tt0 -123.79 125.59 44.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.46 -136.42 2.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HB2' HG21 ' A' ' 43' ' ' VAL . 30.7 mm-40 -109.73 159.79 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -142.06 156.6 45.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -108.99 138.82 44.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.01 -10.75 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -76.59 -60.06 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -104.06 -47.08 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 79.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 36' ' ' ILE . 2.6 pp -151.35 154.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -119.22 150.03 40.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.492 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 34.0 mtp -140.66 150.45 43.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 43' ' ' VAL . 50.2 m80 -66.86 171.08 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.32 -57.84 11.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.584 0.707 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.75 -10.09 27.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.361 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 m -90.29 -33.45 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' HIS . 61.2 t -76.49 -43.12 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -67.86 -59.99 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -47.44 -21.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -96.39 -24.64 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' ALA . 22.8 m-85 -117.38 32.42 6.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' PHE . 1.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.771 0.238 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mtt85 -139.11 124.26 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.6 t -48.21 131.64 12.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 -3.22 11.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -104.29 -70.37 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 p -81.48 -37.97 27.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.59 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.38 -65.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -174.28 140.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -84.95 110.63 29.64 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.575 0.702 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.51 7.62 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -83.57 -178.45 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.85 169.85 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.67 125.96 38.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 168.21 22.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.443 ' CD1' HD22 ' A' ' 24' ' ' LEU . 25.9 mm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -49.45 165.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -111.78 -22.84 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.0 mm -82.38 -49.32 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.91 -23.11 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.1 m80 70.3 42.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -111.08 134.32 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -43.67 123.83 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -118.13 -174.49 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' GLN . 2.5 tp -130.79 -42.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' N ' HG23 ' A' ' 26' ' ' ILE . 50.1 tp60 -129.93 -74.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 46.19 -156.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -106.2 156.78 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 p -132.27 158.22 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.2 t -106.15 129.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.8 27.41 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -116.94 -53.91 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 11.5 p -111.41 -51.43 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.95 56.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.7 pp -126.71 150.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -118.21 148.22 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.619 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 37.6 mtp -143.21 136.17 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.506 ' O ' HG23 ' A' ' 43' ' ' VAL . 31.2 m80 -55.02 161.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -57.25 -56.81 29.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.76 -9.67 26.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 30.8 m -90.08 -30.8 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 39' ' ' HIS . 81.4 t -77.38 -45.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -59.49 -65.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 -22.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.7 t80 -92.43 -28.58 16.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ALA . 21.6 m-85 -118.64 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.76 0.233 . . . . 0.0 112.303 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -133.37 115.62 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.8 t -39.66 127.94 1.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.619 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 54.0 Cg_endo -69.7 -0.62 7.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 50.3 t60 -105.96 -70.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.8 p -80.44 -34.02 36.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 68.55 47.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.0 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -175.03 136.48 0.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -82.33 111.38 27.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.26 164.12 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.95 166.11 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.5 mm -95.2 126.08 47.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.3 tttt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 24' ' ' LEU . 50.3 mm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.8 166.99 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -112.64 -18.73 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.17 -45.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -112.64 -18.82 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 m80 72.0 27.84 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 m -104.25 146.25 29.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -54.04 135.93 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 25' ' ' LEU . 2.3 pp -134.81 153.66 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' CD ' ' A' ' 27' ' ' GLN . 46.4 pt -134.88 -31.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.712 ' NE2' ' H ' ' A' ' 27' ' ' GLN . 1.3 pm0 -122.11 48.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -115.94 173.77 14.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.647 ' HB2' HG21 ' A' ' 43' ' ' VAL . 4.0 mm100 -71.57 166.57 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -145.3 160.67 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.91 135.32 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -93.51 -12.02 30.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -74.42 -59.99 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.6 -49.69 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.86 56.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.48 178.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.0 mtt85 -141.57 141.68 33.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.665 ' HB2' HG22 ' A' ' 43' ' ' VAL . 24.8 mtp -140.23 139.48 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.843 ' O ' HG23 ' A' ' 43' ' ' VAL . 44.5 m80 -55.81 168.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -62.29 -57.74 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.4 m -91.34 -33.39 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 39' ' ' HIS . 45.7 t -75.11 -45.49 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -64.04 -55.57 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -48.12 -25.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -92.18 -26.24 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CB ' HD12 ' A' ' 66' ' ' ILE . 18.4 m-85 -116.15 26.18 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.9 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.795 0.248 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -109.88 118.96 37.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.16 133.06 7.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.24 18.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -101.27 -72.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 p -78.58 -38.61 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 70.49 49.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.53 -65.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -174.85 122.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -66.45 111.81 7.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.39 169.56 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.28 163.79 25.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.411 HD12 ' CB ' ' A' ' 47' ' ' PHE . 19.5 mm -93.68 122.84 61.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 175.75 7.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.0 mttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.905 0.383 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -72.96 163.41 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.474 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -110.53 -11.03 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.7 mm -97.65 -45.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.92 -12.04 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.4 m80 57.84 51.89 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -126.19 135.19 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.87 121.49 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.702 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 pp -120.19 173.85 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.9 mp -128.36 -44.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -132.37 143.34 49.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.69 -142.38 7.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HB2' HG21 ' A' ' 43' ' ' VAL . 24.3 mm-40 -100.32 153.41 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 85.9 p -137.0 160.28 39.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 t -114.58 137.31 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.47 -7.63 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -79.17 -57.05 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.7 p -109.13 -42.17 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.54 72.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HB ' ' ND2' ' A' ' 19' ' ' ASN . 2.8 pp -140.75 149.28 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 25.5 mtp85 -112.93 148.84 34.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.821 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 42.0 mtp -143.29 136.49 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.6 m80 -57.82 171.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -65.56 -57.24 15.02 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.745 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.7 -13.28 34.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 40.8 m -84.69 -36.85 21.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' HIS . 80.1 t -74.32 -46.84 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.3 -51.54 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.21 -27.16 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 6.1 t80 -85.62 -26.87 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.7 m-85 -120.12 28.98 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.429 ' CB ' HD11 ' A' ' 66' ' ' ILE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.795 0.248 . . . . 0.0 112.385 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 54' ' ' ARG . 17.3 mtm105 -112.35 132.83 54.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.5 t -55.49 129.45 69.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.821 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.8 Cg_endo -69.73 2.24 3.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.596 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 28.1 t60 -109.37 -65.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.4 p -87.91 -27.85 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.71 54.45 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.62 -68.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -172.53 138.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -81.21 111.53 25.26 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -27.99 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -95.46 179.54 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.77 163.16 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 53' ' ' PRO . 28.0 mm -86.0 129.29 54.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.507 HD13 HD22 ' A' ' 24' ' ' LEU . 12.4 mm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.935 0.398 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.3 t -58.84 168.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -115.59 -22.85 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CG1' ' HB3' ' A' ' 42' ' ' CYS . 43.7 mm -84.55 -50.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.33 -12.77 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 68.55 25.05 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -100.58 159.94 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD22 HD13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -65.35 129.3 39.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.8 pp -120.85 163.68 17.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 pt -151.74 117.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 70.01 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.65 -151.12 8.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.677 ' CG ' HG21 ' A' ' 43' ' ' VAL . 2.0 mm100 -88.64 151.35 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -138.68 160.95 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 t -115.12 129.99 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -95.67 -7.34 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -78.17 -51.94 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -111.93 -47.3 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.33 67.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' C ' HD12 ' A' ' 36' ' ' ILE . 2.5 pp -142.36 148.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -116.64 153.97 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.644 ' HB2' HG22 ' A' ' 43' ' ' VAL . 31.0 mtp -145.35 148.47 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.879 ' O ' HG23 ' A' ' 43' ' ' VAL . 49.4 m80 -63.66 167.28 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.546 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.04 -57.37 18.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.76 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 45.5 m -89.04 -37.81 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 39' ' ' HIS . 57.2 t -67.64 -45.12 85.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.52 -53.18 55.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -49.69 -25.42 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.8 t80 -95.2 -21.54 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -122.69 32.96 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 48' ' ' GLN . 8.1 tp60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.749 0.229 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -111.67 120.94 43.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.5 t -45.56 130.66 6.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 1.45 4.42 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -109.44 -69.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -82.26 -30.25 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 60.55 54.47 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.07 -65.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -175.07 129.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -75.37 111.98 16.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.63 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -68.42 170.24 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.63 158.06 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -87.65 126.87 60.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 171.88 13.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 t -61.41 166.74 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.92 -19.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.27 -42.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.49 -23.55 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 73.03 33.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 m -109.39 157.97 18.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -65.2 132.57 49.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.675 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -129.92 160.17 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 27' ' ' GLN . 7.8 tp -114.46 -44.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.495 ' N ' HG23 ' A' ' 26' ' ' ILE . 2.8 tp-100 -137.45 137.84 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.95 -138.12 4.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.752 ' HG3' HG21 ' A' ' 43' ' ' VAL . 32.9 mm-40 -102.53 158.14 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 p -145.36 161.48 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 t -116.55 141.6 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -102.35 -6.87 22.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -81.73 -57.29 3.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.39 -44.92 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -138.18 141.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HD2' HD11 ' A' ' 25' ' ' LEU . 86.9 mtt180 -106.74 155.34 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.684 ' HB2' HG22 ' A' ' 43' ' ' VAL . 15.0 mtp -145.46 136.41 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.829 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.3 m80 -56.62 170.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.65 -57.6 16.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.681 0.753 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -15.42 36.99 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.1 m -83.72 -36.48 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 39' ' ' HIS . 93.1 t -71.5 -41.85 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -67.22 -45.97 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -53.44 -32.44 49.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 9.2 t80 -85.14 -19.36 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CD2' HD12 ' A' ' 66' ' ' ILE . 25.0 m-85 -124.16 32.13 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.754 0.231 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -120.01 133.54 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 25.4 t -59.78 127.33 85.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 5.84 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -115.24 -62.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 16.7 p -92.8 -23.88 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 14.7 t-20 71.25 41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' TYR . 4.7 m-20 -117.88 145.51 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 18.5 t80 -36.6 129.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.488 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.9 t-105 -62.42 117.54 31.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -10.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -119.08 -176.36 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -94.94 168.56 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 53' ' ' PRO . 24.4 mm -94.39 131.72 30.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.71 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.411 HD13 HD22 ' A' ' 24' ' ' LEU . 27.4 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.78 166.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.95 -11.53 13.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.07 -50.31 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.4 p -105.85 -13.49 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.02 39.86 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.17 150.28 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.76 124.34 19.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.6 pp -125.34 176.33 6.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.81 -57.07 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -123.57 143.87 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.68 -137.06 4.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -111.46 154.89 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 30.2 t -144.94 161.86 38.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 t -109.11 132.81 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -86.38 -13.87 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.1 m -72.44 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -49.17 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.24 74.12 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.5 pp -140.92 135.62 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -95.45 151.57 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.466 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.6 mtp -146.65 133.27 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.716 ' O ' HG23 ' A' ' 43' ' ' VAL . 60.6 m80 -55.48 164.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mm? -60.79 -57.31 27.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.71 -13.67 35.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 44.7 m -86.53 -31.5 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 39' ' ' HIS . 88.9 t -75.33 -44.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.98 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -55.43 -17.7 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -93.11 -26.3 17.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CD2' HD12 ' A' ' 66' ' ' ILE . 19.9 m-85 -104.89 9.75 34.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.604 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.746 0.228 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 2.2 mpt_? -153.74 117.32 4.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.61 127.35 24.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.7 2.79 3.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -112.71 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.8 p -85.36 -25.56 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 54' ' ' ARG . 9.9 t-20 58.16 44.08 19.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.92 -66.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.403 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 79.0 t80 -175.23 138.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -83.32 110.3 23.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 61' ' ' TYR . 53.8 Cg_endo -69.76 -7.85 22.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -112.53 173.31 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -175.41 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.756 HD12 ' CD2' ' A' ' 47' ' ' PHE . 29.1 mm -111.09 121.24 41.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.89 3.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -62.56 168.52 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -114.56 -27.29 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.6 HD11 ' HE3' ' A' ' 38' ' ' MET . 50.4 mm -80.03 -44.02 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.68 -23.82 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 m80 71.09 39.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -114.61 143.94 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.2 tm? -50.91 130.98 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.712 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 pp -127.74 167.97 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.5 mt -96.24 -67.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -126.41 -68.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 48.98 -144.84 7.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.56 ' HB2' HG21 ' A' ' 43' ' ' VAL . 2.6 mm100 -102.3 152.77 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -135.77 160.47 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -114.54 136.09 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.38 -15.51 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.8 m -71.65 -58.59 3.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -104.3 -47.49 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.86 41.49 0.77 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.492 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -112.31 140.77 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -104.4 151.5 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.662 ' HB2' HG22 ' A' ' 43' ' ' VAL . 24.0 mtp -144.14 142.15 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.907 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.1 m80 -59.9 166.13 2.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -61.88 -57.69 22.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.2 Cg_endo -69.78 -12.99 33.98 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.276 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.7 m -87.53 -36.46 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 39' ' ' HIS . 65.1 t -67.98 -46.79 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.451 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -65.36 -45.85 82.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -52.55 -25.56 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.4 t80 -95.55 -23.98 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -116.34 35.06 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.721 0.217 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -122.25 119.46 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 54.0 t -48.05 129.84 12.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 5.47 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -115.3 -70.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -80.16 -24.74 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 5.8 t-20 71.81 35.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.9 m-20 -117.75 147.57 42.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 43.4 t80 -35.87 125.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -62.74 114.1 11.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.73 4.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -73.82 173.02 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.14 162.06 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.24 126.49 41.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.78 159.53 53.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mm . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -62.78 167.27 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 -17.4 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 ' HE3' ' A' ' 38' ' ' MET . 27.5 mm -90.01 -43.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -115.75 -21.21 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m170 70.65 41.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -114.22 145.22 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.31 127.21 21.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.8 pp -127.12 166.8 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.56 -65.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -120.57 113.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.44 -135.22 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HB2' HG21 ' A' ' 43' ' ' VAL . 9.7 mm-40 -118.14 150.29 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -137.62 161.84 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.11 122.27 44.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -84.01 23.65 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 m -115.03 -57.98 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.45 ' SG ' HG23 ' A' ' 36' ' ' ILE . 24.2 p -106.3 -47.11 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.32 64.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 pp -130.63 134.59 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -101.29 149.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.619 ' HB2' HG22 ' A' ' 43' ' ' VAL . 28.2 mtp -145.52 132.79 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.596 ' O ' HG23 ' A' ' 43' ' ' VAL . 67.3 m80 -54.0 168.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -61.76 -57.35 24.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -16.09 37.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 36.5 m -82.12 -38.46 24.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' ' 38' ' ' MET . 70.7 t -68.83 -46.77 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.75 72.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -51.98 -29.7 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -92.65 -17.37 24.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -128.05 42.25 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.796 0.249 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -129.71 131.64 46.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.1 t -60.42 129.17 88.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.46 12.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.06 -69.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.57 -35.45 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.69 45.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -106.24 -65.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -175.46 142.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -87.84 110.88 38.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -42.62 3.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -78.09 176.61 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -89.51 164.27 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.59 127.09 49.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.92 25.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tptm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.5 mm . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 12.2 t -75.36 167.01 22.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.66 -12.84 12.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.481 HD11 ' HE3' ' A' ' 38' ' ' MET . 27.0 mm -93.19 -39.13 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -121.15 -14.35 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.9 m170 62.71 48.68 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -126.12 148.75 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -53.17 129.3 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.512 HD21 ' HG3' ' A' ' 37' ' ' ARG . 1.2 pp -124.56 173.93 8.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -164.27 129.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 61.96 46.15 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.88 -154.57 9.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.567 ' HB2' HG21 ' A' ' 43' ' ' VAL . 26.5 mm-40 -92.19 133.98 35.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -127.63 148.28 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.14 124.95 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -92.65 21.43 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.7 m -113.79 -62.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 p -94.23 -49.97 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.61 27.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.484 HD12 ' C ' ' A' ' 36' ' ' ILE . 1.9 pp -113.99 141.3 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HG3' HD21 ' A' ' 25' ' ' LEU . 9.4 ptp180 -122.64 163.93 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.571 ' HB2' HG22 ' A' ' 43' ' ' VAL . 10.5 mtp -141.56 157.66 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.869 ' O ' HG23 ' A' ' 43' ' ' VAL . 65.1 m80 -65.23 173.84 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.77 -57.25 12.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 -14.09 35.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.5 m -84.79 -38.75 19.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 39' ' ' HIS . 93.2 t -65.97 -50.26 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.54 -51.52 65.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -50.9 -30.11 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -92.46 -18.28 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.97 37.86 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.7 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.174 0 CA-C-O 120.764 0.235 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.5 139.82 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.8 t -68.32 128.44 93.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.53 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -115.77 -68.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.3 p -83.32 -26.67 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 8.4 t30 74.91 38.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.37 153.61 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 6.2 t80 -44.74 129.09 7.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.563 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.5 t-105 -54.01 113.27 4.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 3.61 2.63 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -131.27 178.23 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 29' ' ' GLN . 22.6 pt-20 -82.14 168.72 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mm -104.08 121.09 48.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.423 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.97 166.03 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.481 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -111.74 -18.73 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.97 -42.66 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.83 -18.19 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 66.21 31.2 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -100.58 164.49 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -71.67 129.31 38.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.772 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.86 162.92 30.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -130.6 -44.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -130.16 119.72 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.24 -139.57 3.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.666 ' CG ' HG21 ' A' ' 43' ' ' VAL . 15.5 mm100 -102.16 137.31 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -121.93 161.97 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.93 117.68 34.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -83.68 30.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.435 HG21 ' OD2' ' A' ' 60' ' ' ASP . 86.0 m -120.89 -56.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.632 ' SG ' HG23 ' A' ' 36' ' ' ILE . 26.1 p -108.5 -47.42 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.52 40.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.632 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.4 pp -112.33 144.53 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -116.77 147.9 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.781 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.3 mtp -139.46 128.68 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.705 ' O ' HG23 ' A' ' 43' ' ' VAL . 51.0 m80 -48.7 156.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -51.79 -57.0 16.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.7 -16.17 37.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.339 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 37.6 m -85.66 -30.96 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 38' ' ' MET . 88.4 t -73.67 -46.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -62.99 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -54.13 -32.63 55.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 5.8 t80 -85.42 -24.49 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.619 ' CD2' HD12 ' A' ' 66' ' ' ILE . 20.6 m-85 -119.44 34.22 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.9 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.539 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.715 0.215 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -108.94 128.67 55.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 35.7 t -54.44 127.18 57.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.501 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.8 Cg_endo -69.69 5.49 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CG ' HG21 ' A' ' 36' ' ' ILE . 72.2 t60 -116.81 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.26 -26.82 18.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 36.0 t-20 74.71 41.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' A' ' 33' ' ' THR . 77.2 m-20 -117.83 144.38 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -37.89 124.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -57.36 114.24 7.84 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.46 -176.93 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.79 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 47' ' ' PHE . 15.9 mm -86.08 135.44 37.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.453 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.81 158.35 57.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.868 0.366 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 t -60.8 169.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -111.93 -25.31 9.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -85.32 -48.13 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.79 -19.16 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.9 m80 62.12 50.16 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -121.23 142.31 50.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.47 118.45 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.7 pp -123.25 164.83 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 pt -126.58 -29.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -138.03 141.85 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.94 -140.34 6.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.683 ' HG3' HG21 ' A' ' 43' ' ' VAL . 26.0 mm-40 -102.95 161.69 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 58.8 p -146.5 150.83 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.03 135.23 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.83 -14.63 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -73.67 -61.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.92 -47.61 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.79 58.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.6 pp -126.08 140.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 11.0 mtp85 -101.15 152.01 21.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.6 mtp -145.33 150.08 35.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 56.5 m80 -72.56 159.67 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.1 mm? -56.0 -56.56 29.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.75 -16.92 37.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 35.4 m -83.32 -37.9 22.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.683 HG21 ' HG3' ' A' ' 29' ' ' GLN . 54.5 t -67.99 -48.47 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.41 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -59.81 -30.84 69.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 15.6 t80 -91.61 -25.22 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CD1' ' CB ' ' A' ' 53' ' ' PRO . 22.8 m-85 -113.14 30.88 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.574 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.808 0.253 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -121.23 126.54 49.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' ASN . 44.3 t -59.52 129.02 86.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.82 5.47 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -117.56 -46.4 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.8 p -118.76 18.34 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' CYS . 62.0 t30 32.62 35.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 58' ' ' CYS . 16.0 t0 -103.26 153.95 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.12 120.44 6.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -49.3 110.94 1.71 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.19 37.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -105.35 177.97 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.95 171.55 13.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' A' ' 47' ' ' PHE . 50.8 mm -105.03 126.03 32.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.78 171.52 14.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 24' ' ' LEU . 35.8 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.522 ' N ' HG22 ' A' ' 17' ' ' ILE . 11.1 t -77.9 167.22 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.44 -7.42 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.36 -49.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.61 -10.93 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 m80 61.49 34.56 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -103.51 139.33 38.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -49.19 123.77 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -117.39 179.62 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -130.42 -66.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -131.67 98.65 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.69 -136.27 3.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' CG ' HG21 ' A' ' 43' ' ' VAL . 3.9 mm100 -105.21 136.2 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -118.48 148.62 42.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.92 127.0 43.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -94.11 24.09 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -112.42 -60.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -104.31 -45.65 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 70.85 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' C ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -146.02 150.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -113.71 154.09 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.453 ' HB2' HG22 ' A' ' 43' ' ' VAL . 38.8 mtp -146.19 141.3 27.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.895 ' O ' HG23 ' A' ' 43' ' ' VAL . 37.0 m80 -58.81 164.67 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.6 mm? -60.76 -57.74 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.74 -11.81 31.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.9 m -89.26 -20.81 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 39' ' ' HIS . 53.3 t -88.62 -47.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.32 -56.39 22.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.04 -40.0 63.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 5.9 t80 -70.02 -34.24 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -107.12 19.96 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.0 tp60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.836 0.265 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -132.65 117.21 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.5 t -42.95 132.84 3.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.71 6.75 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -117.91 -68.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.92 -3.44 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 41.3 t30 48.08 38.7 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.43 170.14 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -54.57 130.05 38.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 10.8 t-105 -63.59 114.42 13.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.72 -13.39 34.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -109.55 -179.87 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.98 169.61 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -100.12 126.75 35.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.73 174.61 9.23 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t 49.8 42.23 23.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p -78.91 176.86 9.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.33 159.0 32.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -140.45 172.88 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -155.25 124.44 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.64 59.2 0.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -143.57 124.82 14.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.13 94.36 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.0 p -122.07 101.35 7.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.171 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 7.4 m-85 -130.61 148.39 69.86 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.658 0.742 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.88 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.9 34.22 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.638 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -130.54 51.65 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 16' ' ' LYS . 2.9 m -134.48 -50.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' H ' HG23 ' A' ' 15' ' ' VAL . 26.5 mtmt -134.52 94.12 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.75 141.24 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -65.9 167.59 9.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -110.41 -14.23 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.6 mm -97.18 -49.91 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -106.22 -13.47 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.2 m170 60.16 48.69 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -123.64 139.37 54.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -48.74 125.75 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.2 pp -126.79 170.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mt -128.25 -59.0 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -114.51 128.23 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.04 -130.79 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.408 ' OE1' HG11 ' A' ' 43' ' ' VAL . 13.2 mt-30 -125.65 139.61 53.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 15.6 t -126.4 160.66 29.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.0 t -110.21 130.59 55.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -85.5 -14.91 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -70.39 -51.86 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.23 -47.98 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.61 68.92 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 pp -136.66 136.51 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -99.59 151.54 21.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.476 ' CE ' ' HG3' ' A' ' 56' ' ' PRO . 46.3 mtp -146.3 146.76 30.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.576 ' O ' HG23 ' A' ' 43' ' ' VAL . 39.7 m80 -67.48 168.82 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.42 -57.55 12.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.571 0.7 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.4 Cg_endo -69.77 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 48.5 m -93.41 -43.78 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 39' ' ' HIS . 79.6 t -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.33 -50.19 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -51.54 -22.75 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.5 t80 -95.95 -21.57 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CD2' HD12 ' A' ' 66' ' ' ILE . 23.5 m-85 -118.0 30.77 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.67 136.69 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t 64.83 41.27 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -135.06 165.84 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.49 -60.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.053 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -117.83 112.6 38.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.79 54.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.71 2.274 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -133.0 126.15 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.0 t -48.87 127.05 14.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.72 0.67 5.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.528 ' CG ' HG21 ' A' ' 36' ' ' ILE . 36.4 t60 -106.41 -71.0 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.82 -31.89 40.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.8 t30 67.76 50.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -116.56 -66.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -175.29 146.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -89.32 108.91 27.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -31.36 20.95 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -86.47 178.21 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -88.58 167.4 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.479 HD12 ' CD2' ' A' ' 47' ' ' PHE . 49.1 mm -98.06 122.16 55.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.412 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -100.77 151.77 21.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -93.48 169.14 10.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -106.21 -179.94 23.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 4.67 2.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 p -88.99 150.46 22.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.5 t 70.31 44.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.1 p -35.49 128.85 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -116.65 143.74 45.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.83 148.06 18.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -154.77 164.66 38.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -61.56 91.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.92 -177.2 29.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -66.77 132.52 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.6 pm0 -71.72 114.19 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.448 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 31.2 p -129.84 120.0 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 21.4 m-85 -148.47 152.6 38.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.726 0.774 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -133.25 31.2 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' C ' HD11 ' A' ' 24' ' ' LEU . . . -134.08 41.71 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.83 -26.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -59.75 115.91 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.486 HD13 HD22 ' A' ' 24' ' ' LEU . 42.0 mm -94.51 143.02 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 38' ' ' MET . 11.4 t -66.3 167.58 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -112.38 -18.83 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mm -91.54 -43.09 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 p -113.0 -20.18 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.3 m80 66.17 49.54 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -124.88 141.87 51.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.627 HD11 ' C ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -48.8 131.5 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.5 pp -133.83 170.22 15.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 26' ' ' ILE . 5.2 mp -133.26 -42.42 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -129.59 121.92 28.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.67 -144.49 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.59 ' HB2' HG21 ' A' ' 43' ' ' VAL . 29.2 mm-40 -107.44 152.27 24.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' NE ' ' A' ' 37' ' ' ARG . 60.6 p -137.39 159.75 41.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.83 141.37 44.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -97.6 -16.45 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -71.6 -61.42 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.431 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.6 p -102.96 -46.18 4.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.81 69.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.62 146.9 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NE ' ' HB3' ' A' ' 30' ' ' SER . 19.6 mmt180 -107.99 148.86 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.656 ' HB2' HG22 ' A' ' 43' ' ' VAL . 36.5 mtp -145.71 132.48 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.757 ' O ' HG23 ' A' ' 43' ' ' VAL . 45.8 m80 -54.15 170.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.7 mm? -63.14 -57.76 19.35 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.6 0.714 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.77 -11.39 30.74 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.303 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.3 m -87.05 -37.36 17.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 39' ' ' HIS . 87.5 t -69.76 -45.44 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 69' ' ' SER . . . -70.82 -49.74 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -49.91 -23.63 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 9.9 t80 -96.06 -22.94 17.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 22.5 m-85 -120.43 38.1 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -109.06 -28.94 8.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p -93.03 -34.19 13.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -86.66 157.27 19.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.11 -53.48 6.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -99.85 114.66 65.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 53.6 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.297 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -119.9 126.71 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.5 t -49.75 126.55 18.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.76 5.77 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 41.0 t60 -113.27 -64.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 9.9 p -88.72 -23.3 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 10.2 t-20 72.36 38.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -112.76 160.64 17.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 12.0 t80 -55.43 129.66 39.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.523 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 7.9 t-105 -61.41 116.87 22.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.584 0.707 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -33.63 16.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.419 ' CD2' ' OE1' ' A' ' 29' ' ' GLN . 33.1 t60 -91.81 179.81 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 9.8 pt-20 -86.15 165.79 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.44 124.8 52.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.37 24.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.28 150.93 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HB3' ' HB1' ' A' ' 44' ' ' ALA . 81.9 p -131.94 158.12 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.55 167.27 11.26 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 114.69 3.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.4 m -159.83 143.38 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 99.3 p -90.13 41.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.459 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -141.56 172.97 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -151.93 177.51 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.46 -157.15 8.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -154.47 174.0 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -172.14 174.31 4.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.46 171.28 14.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -85.36 176.25 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -141.62 -177.83 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -80.28 146.91 31.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.67 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 74.6 m-85 -144.56 152.63 53.53 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.656 0.741 . . . . 0.0 110.963 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.95 38.3 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.67 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -129.94 49.9 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.748 HG22 HD21 ' A' ' 24' ' ' LEU . 11.2 m -137.32 -178.35 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -31.15 115.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mm -101.47 146.54 9.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 t -59.74 166.77 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -115.1 -21.31 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 HD11 ' HE3' ' A' ' 38' ' ' MET . 20.5 mm -90.58 -37.74 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 p -117.93 -19.42 9.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 68.98 25.6 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.9 m -100.54 141.43 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -53.59 135.49 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.56 172.26 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.5 mt -125.11 -42.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -143.04 135.38 27.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.45 -118.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.563 ' HG3' HG21 ' A' ' 43' ' ' VAL . 26.5 mm-40 -123.42 147.34 47.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 p -132.39 157.69 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.9 t -106.69 120.94 43.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -90.11 27.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.8 m -117.55 -58.61 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.542 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -106.92 -47.36 3.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.36 72.32 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.02 143.12 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.584 ' HD3' HD11 ' A' ' 25' ' ' LEU . 10.0 mtp180 -110.58 151.2 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.584 ' HB2' HG22 ' A' ' 43' ' ' VAL . 32.2 mtp -144.99 131.52 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.652 ' O ' HG23 ' A' ' 43' ' ' VAL . 65.3 m80 -53.41 173.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -64.7 -57.58 16.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.77 -14.12 35.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.3 m -83.74 -30.88 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 39' ' ' HIS . 97.3 t -81.29 -46.97 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -57.35 -54.51 46.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -49.82 -29.77 8.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 3.0 t80 -89.44 -28.98 19.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -121.19 39.49 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -106.12 129.43 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 3.2 m 47.11 53.49 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -146.61 156.2 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' GLU . . . -57.82 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' ALA . 46.3 mm-40 -33.07 126.71 0.4 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.75 67.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.282 . . . . 0.0 112.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -144.52 122.46 12.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 43.9 t -48.42 129.33 13.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.75 -9.27 25.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.317 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.542 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 32.6 t60 -91.72 -69.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.33 -40.43 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 7.7 t-20 74.94 52.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.94 -63.63 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 71.6 t80 -175.72 148.89 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -89.16 108.12 22.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.586 0.707 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.81 -5.42 16.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -117.62 176.13 5.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.3 163.63 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 67' ' ' PRO . 40.5 mm -89.9 134.15 32.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 66' ' ' ILE . 53.4 Cg_endo -69.75 173.08 11.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.25 133.6 48.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -89.3 125.66 35.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.31 173.42 39.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 -2.81 10.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.236 . . . . 0.0 112.294 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -67.52 166.4 14.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 m -158.95 167.98 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -174.18 176.49 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -77.84 169.05 18.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.33 91.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -105.53 133.61 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -92.61 119.76 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.26 128.51 4.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -112.36 100.01 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 10.3 pt-20 -98.05 -33.44 11.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 9' ' ' GLU . 16.9 p -31.68 128.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.93 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 1.9 m-85 -112.11 153.06 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.93 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.721 2.281 . . . . 0.0 112.401 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -7.02 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.93 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -84.23 30.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 11' ' ' TYR . 10.0 m -134.86 -171.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -65.86 95.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.9 mm -112.41 141.62 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -61.37 164.88 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.27 -9.28 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.404 HD11 ' HE3' ' A' ' 38' ' ' MET . 47.6 mm -101.27 -48.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.01 0.67 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.6 m80 49.32 36.29 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 t -105.78 157.42 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.1 tm? -69.73 127.73 33.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -119.88 163.74 17.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -126.04 -29.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -151.05 119.68 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.01 -145.34 4.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' OE1' HG11 ' A' ' 43' ' ' VAL . 18.2 mt-30 -105.94 159.29 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 m -144.89 156.96 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.9 t -101.31 131.94 47.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -82.57 -15.97 50.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.8 m -71.73 -69.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' SG ' HG23 ' A' ' 36' ' ' ILE . 15.7 p -88.38 -48.36 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.64 36.14 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.481 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.6 pp -101.77 160.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 59.7 mtt180 -122.46 152.33 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.404 ' HE3' HD11 ' A' ' 20' ' ' ILE . 48.9 mtp -145.84 149.88 35.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 43' ' ' VAL . 61.4 m80 -67.23 172.7 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -68.61 -57.74 7.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.76 -11.99 31.97 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 m -87.46 -30.87 20.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 39' ' ' HIS . 96.8 t -77.58 -47.5 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -58.83 -62.41 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -47.18 -24.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -92.61 -24.58 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CE2' HG13 ' A' ' 43' ' ' VAL . 22.8 m-85 -119.02 23.86 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 tt0 -113.04 -33.44 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -76.4 -43.7 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -90.97 178.17 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.81 -64.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -87.15 111.36 40.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 53.5 Cg_endo -69.73 124.32 10.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.427 ' CD ' ' O ' ' A' ' 59' ' ' ASN . 9.1 mmt85 -120.04 138.49 53.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 12.1 t -64.86 125.23 88.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 5.29 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.39 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CG ' HG21 ' A' ' 36' ' ' ILE . 17.7 t60 -116.28 -47.71 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 59' ' ' ASN . 27.8 p -120.68 21.05 11.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' CYS . 9.4 m120 31.27 50.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.2 154.31 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -56.02 123.13 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -60.1 115.65 14.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -50.18 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -67.42 173.31 4.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.7 171.39 14.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -100.27 126.03 37.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 158.51 56.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.297 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -115.41 -63.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.3 m -117.83 164.01 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.85 162.33 42.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 144.58 54.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.352 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.6 p -53.27 -44.37 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 p -149.12 130.52 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.518 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -83.05 177.86 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.381 . . . . 0.0 110.809 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 61.73 43.14 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.07 68.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.481 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -90.0 128.78 36.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.919 0.39 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -68.11 138.55 55.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.76 -146.17 13.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.1 mmt-85 -46.03 103.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -76.57 162.83 27.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.471 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 7.4 t -106.72 156.96 18.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 1.034 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 1.6 m-85 -135.12 154.74 79.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -43.58 2.61 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.7 -10.29 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.034 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -81.95 33.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 11' ' ' TYR . 5.9 m -154.21 -175.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.59 99.11 4.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 24' ' ' LEU . 22.4 mm -113.88 154.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' N ' HG22 ' A' ' 17' ' ' ILE . 13.6 t -72.53 166.28 22.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -110.28 -15.33 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -91.83 -54.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.03 -9.98 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.1 m170 60.95 36.41 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -109.21 157.22 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.658 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -64.2 134.98 55.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.3 pp -132.11 170.28 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.9 tt -129.94 -31.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -145.76 127.28 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.28 -140.0 3.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.484 ' OE1' ' CD2' ' A' ' 64' ' ' HIS . 11.7 mm-40 -115.93 138.21 51.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -117.72 161.69 19.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -108.02 141.3 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -94.3 -18.0 22.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.7 m -71.49 -60.17 2.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 24.5 p -105.22 -47.0 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.54 70.44 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.694 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -135.61 136.08 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -97.16 150.03 21.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.648 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 55.7 mtp -143.07 151.47 40.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.756 ' O ' HG23 ' A' ' 43' ' ' VAL . 55.8 m80 -67.44 172.35 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.1 mm? -69.69 -57.45 6.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.0 Cg_endo -69.73 -12.14 32.33 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.364 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.7 m -87.08 -36.82 17.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 39' ' ' HIS . 82.4 t -70.23 -45.02 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -66.28 -54.55 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -23.98 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -95.32 -23.93 16.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -123.19 31.26 6.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.9 tp60 -101.61 133.5 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t 65.35 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -134.47 175.53 9.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.53 -64.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -120.21 120.81 29.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 156.99 62.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -148.79 121.59 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -46.61 131.13 8.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.648 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.3 Cg_endo -69.83 -3.51 12.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.412 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 57.1 t60 -104.9 -69.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.0 p -82.61 -35.08 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.4 t30 66.35 48.3 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -110.21 -60.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -175.16 137.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -84.22 112.92 44.95 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.46 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.736 2.29 . . . . 0.0 112.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' ' OE1' ' A' ' 29' ' ' GLN . 28.8 t60 -72.28 179.26 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' A' ' 64' ' ' HIS . 13.0 pt-20 -90.12 167.26 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 mm -95.44 127.2 42.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.74 48.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -113.57 151.46 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 t -82.32 151.82 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.77 167.06 49.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.7 7.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 t -170.25 151.7 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.8 p -87.26 162.41 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.493 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -94.88 138.96 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -170.25 146.58 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 107.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -100.28 137.9 38.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -144.45 169.1 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.85 132.87 2.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.633 ' O ' HG23 ' A' ' 10' ' ' THR . 30.2 ttp180 -50.6 156.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' ARG . 10.9 pt-20 -35.88 133.58 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 8' ' ' ARG . 47.6 p -134.28 141.36 46.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.751 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 10.3 m-85 -143.06 152.61 58.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.651 0.739 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -50.92 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -132.91 45.25 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -132.85 26.06 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 24' ' ' LEU . 3.3 m -131.86 -172.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HE2' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.05 98.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.403 HD13 HD22 ' A' ' 24' ' ' LEU . 51.0 mm -115.95 144.09 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -59.92 166.4 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -113.45 -9.9 13.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.9 -46.12 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -113.57 -14.33 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.83 40.3 4.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -51.51 135.18 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.833 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -126.19 168.57 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 tp -109.57 -38.06 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -135.01 -71.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 27' ' ' GLN . . . 44.68 -171.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' HB2' HG21 ' A' ' 43' ' ' VAL . 4.0 mm-40 -92.26 171.11 9.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -146.56 161.15 41.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 t -115.11 133.0 56.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -94.68 -11.14 29.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.8 m -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.3 p -104.06 -48.33 3.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.32 69.38 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.532 HG21 ' ND1' ' A' ' 57' ' ' HIS . 2.7 pp -138.16 144.36 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -109.59 148.35 31.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.5 mtp -143.03 163.35 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.689 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.4 m80 -79.14 171.74 14.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -68.66 -57.5 8.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.81 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 47.0 m -91.32 -39.58 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 39' ' ' HIS . 90.1 t -71.96 -44.31 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.63 -63.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -48.47 -25.42 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 13.3 t80 -89.44 -24.0 21.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CE2' HG13 ' A' ' 43' ' ' VAL . 22.1 m-85 -121.77 24.18 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 -110.32 -36.8 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 t -74.89 -46.95 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -80.23 174.89 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.85 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.41 116.36 65.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 113.59 3.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -117.63 119.88 36.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 46.0 t -46.86 129.61 8.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.78 -1.18 8.05 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.532 ' ND1' HG21 ' A' ' 36' ' ' ILE . 20.5 t60 -103.55 -70.08 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.4 p -81.34 -33.55 32.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.8 t30 66.21 50.98 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -119.29 -64.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -174.18 135.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -82.47 110.69 23.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -63.97 167.71 5.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.79 160.38 27.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 24.5 mm -93.86 126.03 50.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.685 0.755 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.15 22.36 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.716 2.278 . . . . 0.0 112.386 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -109.64 144.28 38.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 23.7 p -63.09 133.59 54.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.75 165.96 35.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.23 36.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.2 t -171.07 131.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -144.71 157.14 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -133.29 142.49 48.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -150.41 160.26 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -158.18 15.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -142.97 161.9 36.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -174.94 166.64 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.7 -152.9 8.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -56.57 179.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.302 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.5 176.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 t -124.08 146.83 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.621 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 93.1 m-85 -156.59 143.75 13.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -53.59 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -134.76 44.65 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 11' ' ' TYR . . . -132.08 21.84 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 11' ' ' TYR . 6.5 m -132.06 -171.49 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 94.68 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 mm -111.92 140.76 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.99 167.1 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -112.94 -19.28 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.664 HD11 ' HE3' ' A' ' 38' ' ' MET . 20.7 mm -91.34 -39.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.87 -19.17 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 68.21 30.47 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -102.15 159.29 15.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -70.71 127.16 31.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.7 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -124.94 176.62 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 27' ' ' GLN . 5.4 tp -132.1 -42.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.454 ' N ' HG23 ' A' ' 26' ' ' ILE . 21.6 pt20 -137.65 127.6 25.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.22 -143.71 5.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' CG ' HG21 ' A' ' 43' ' ' VAL . 3.8 mm100 -102.72 157.77 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -142.33 160.08 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.3 t -99.84 122.53 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -83.54 20.65 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.404 ' CG2' ' SG ' ' A' ' 58' ' ' CYS . 87.7 m -114.41 -59.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 13.2 p -101.24 -50.22 3.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.57 52.05 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.539 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.7 pp -118.43 140.85 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -104.43 150.29 24.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.664 ' HE3' HD11 ' A' ' 20' ' ' ILE . 28.8 mtp -145.47 134.89 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . 66.6 m80 -55.83 166.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -62.11 -57.26 24.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.73 -17.68 37.55 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.719 2.28 . . . . 0.0 112.322 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 50.5 m -81.73 -39.11 24.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' HIS . 82.5 t -65.39 -48.93 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.427 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -60.27 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -51.81 -31.51 27.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -91.0 -21.59 21.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 14.3 m-85 -125.5 47.79 2.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -113.02 -18.38 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.8 p -112.3 -64.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.29 155.31 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.06 -63.89 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -83.35 111.01 27.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.632 0.73 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HB3' ' CG ' ' A' ' 47' ' ' PHE . 54.5 Cg_endo -69.75 116.71 4.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -107.24 137.37 45.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.9 t -71.15 125.22 91.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 5.23 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.539 ' CG ' HG21 ' A' ' 36' ' ' ILE . 32.0 t60 -111.25 -52.28 2.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.0 p -117.75 22.99 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' CYS . 2.6 t30 32.19 36.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.3 t70 -101.92 160.44 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.78 122.25 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -53.89 109.94 1.8 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.498 0.666 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -37.16 9.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -79.46 175.91 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -87.71 162.6 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 mm -93.29 131.3 33.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.75 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -126.92 131.1 51.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 m -76.17 111.0 11.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.79 169.28 26.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -3.88 12.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -103.63 119.62 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.9 p -107.21 168.52 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.469 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -164.95 169.5 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -120.4 144.1 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 68.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -103.04 82.24 2.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -73.84 167.21 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -122.27 0.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.54 152.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -163.97 118.35 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -174.52 130.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.212 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.602 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 57.5 m-85 -148.17 153.7 41.62 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.14 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.38 -21.84 7.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -77.37 47.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -132.7 -33.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -65.79 114.45 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.418 HD13 HD22 ' A' ' 24' ' ' LEU . 44.6 mm -84.79 128.8 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -45.66 167.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -112.71 -18.84 12.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.4 mm -89.39 -49.5 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -106.23 -19.37 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.3 m80 65.49 53.55 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -126.43 157.51 38.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -64.08 122.0 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 25' ' ' LEU . 2.5 pp -125.61 158.15 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 27' ' ' GLN . 8.2 tt -124.7 -44.0 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 26' ' ' ILE . 3.8 tt0 -123.79 125.59 44.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 178.46 -136.42 2.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HB2' HG21 ' A' ' 43' ' ' VAL . 30.7 mm-40 -109.73 159.79 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -142.06 156.6 45.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.1 t -108.99 138.82 44.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.01 -10.75 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -76.59 -60.06 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.4 p -104.06 -47.08 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.21 79.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 36' ' ' ILE . 2.6 pp -151.35 154.17 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -119.22 150.03 40.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.492 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 34.0 mtp -140.66 150.45 43.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 43' ' ' VAL . 50.2 m80 -66.86 171.08 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.32 -57.84 11.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.584 0.707 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.8 Cg_endo -69.75 -10.09 27.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.361 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.9 m -90.29 -33.45 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' HIS . 61.2 t -76.49 -43.12 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -67.86 -59.99 2.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -47.44 -21.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -96.39 -24.64 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' ALA . 22.8 m-85 -117.38 32.42 6.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 tt0 -42.59 166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' GLN . 5.9 t -30.38 95.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 41.8 p30 -133.33 -175.12 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -94.49 -52.22 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -140.85 113.01 6.98 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 151.55 69.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.1 mtt85 -139.11 124.26 19.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.6 t -48.21 131.64 12.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 -3.22 11.59 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -104.29 -70.37 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 p -81.48 -37.97 27.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.59 45.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.38 -65.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -174.28 140.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -84.95 110.63 29.64 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.575 0.702 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.51 7.62 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -83.57 -178.45 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.85 169.85 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.67 125.96 38.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 168.21 22.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.54 157.87 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -75.88 -50.54 14.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.99 158.25 53.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.6 m -129.91 113.64 14.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.2 m -120.95 42.56 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.471 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -121.92 165.53 15.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -105.95 165.14 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.825 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.56 170.81 9.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 p -132.39 109.66 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.826 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -165.24 155.9 13.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.24 -165.35 11.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -135.48 133.47 38.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.719 0.295 . . . . 0.0 110.942 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.29 89.02 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 52.0 p -114.23 145.74 41.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.78 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 13.7 m-85 -143.89 152.01 54.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.714 0.768 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.95 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -133.58 36.69 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.78 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -132.45 45.26 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 16' ' ' LYS . 18.0 m -134.04 -50.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' O ' HD11 ' A' ' 25' ' ' LEU . 0.2 OUTLIER 63.07 30.61 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.443 ' CD1' HD22 ' A' ' 24' ' ' LEU . 25.9 mm -53.07 133.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 t -49.45 165.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -111.78 -22.84 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.0 mm -82.38 -49.32 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.91 -23.11 10.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.1 m80 70.3 42.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.6 m -111.08 134.32 52.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -43.67 123.83 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.583 HD11 ' O ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -118.13 -174.49 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' GLN . 2.5 tp -130.79 -42.98 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' N ' HG23 ' A' ' 26' ' ' ILE . 50.1 tp60 -129.93 -74.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 46.19 -156.28 0.52 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -106.2 156.78 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 p -132.27 158.22 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.2 t -106.15 129.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.8 27.41 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -116.94 -53.91 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 11.5 p -111.41 -51.43 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.95 56.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG21 ' CG ' ' A' ' 57' ' ' HIS . 2.7 pp -126.71 150.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -118.21 148.22 42.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.619 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 37.6 mtp -143.21 136.17 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.506 ' O ' HG23 ' A' ' 43' ' ' VAL . 31.2 m80 -55.02 161.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -57.25 -56.81 29.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.5 Cg_endo -69.76 -9.67 26.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 30.8 m -90.08 -30.8 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 39' ' ' HIS . 81.4 t -77.38 -45.15 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -59.49 -65.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.14 -22.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.7 t80 -92.43 -28.58 16.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ALA . 21.6 m-85 -118.64 26.06 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tt0 -110.92 -36.09 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -74.5 -42.35 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.6 -179.09 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.14 -59.2 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -98.2 120.71 59.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 131.1 20.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -133.37 115.62 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.8 t -39.66 127.94 1.48 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.619 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 54.0 Cg_endo -69.7 -0.62 7.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 50.3 t60 -105.96 -70.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.8 p -80.44 -34.02 36.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 68.55 47.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -111.0 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -175.03 136.48 0.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -82.33 111.38 27.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.553 0.692 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.35 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.26 164.12 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.95 166.11 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.5 mm -95.2 126.08 47.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.738 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.721 2.281 . . . . 0.0 112.345 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -118.86 -61.14 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t -165.69 117.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.72 179.01 4.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.54 47.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.359 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.8 t -39.53 -47.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 m -107.4 112.53 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.491 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -129.44 92.64 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.826 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -150.25 151.89 33.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.11 101.54 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 m -115.55 42.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -61.08 171.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.66 -141.51 7.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -38.33 144.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -88.35 47.25 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.54 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 81.9 p -110.09 130.64 55.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 10' ' ' THR . 44.8 m-85 -154.1 153.15 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.61 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -118.42 -33.83 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.22 68.78 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' H ' HD21 ' A' ' 24' ' ' LEU . 27.5 m -145.66 172.49 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HB3' HD11 ' A' ' 25' ' ' LEU . 41.9 mttm 57.55 32.95 22.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 24' ' ' LEU . 50.3 mm -55.28 138.97 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -63.8 166.99 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -112.64 -18.73 12.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.2 mm -90.17 -45.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -112.64 -18.82 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 m80 72.0 27.84 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.8 m -104.25 146.25 29.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -54.04 135.93 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 25' ' ' LEU . 2.3 pp -134.81 153.66 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG13 ' CD ' ' A' ' 27' ' ' GLN . 46.4 pt -134.88 -31.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.712 ' NE2' ' H ' ' A' ' 27' ' ' GLN . 1.3 pm0 -122.11 48.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -115.94 173.77 14.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.647 ' HB2' HG21 ' A' ' 43' ' ' VAL . 4.0 mm100 -71.57 166.57 21.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m -145.3 160.67 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.7 t -109.91 135.32 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -93.51 -12.02 30.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.3 m -74.42 -59.99 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 p -98.6 -49.69 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.86 56.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.48 178.02 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' NH1' ' HG2' ' A' ' 16' ' ' LYS . 23.0 mtt85 -141.57 141.68 33.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.665 ' HB2' HG22 ' A' ' 43' ' ' VAL . 24.8 mtp -140.23 139.48 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.843 ' O ' HG23 ' A' ' 43' ' ' VAL . 44.5 m80 -55.81 168.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -62.29 -57.74 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.647 0.737 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 41.4 m -91.34 -33.39 15.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 39' ' ' HIS . 45.7 t -75.11 -45.49 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -64.04 -55.57 21.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -48.12 -25.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -92.18 -26.24 18.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CB ' HD12 ' A' ' 66' ' ' ILE . 18.4 m-85 -116.15 26.18 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.9 tp60 -103.55 -37.47 7.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.7 p -81.08 -58.64 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -70.09 153.62 42.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.9 -65.23 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -82.06 115.15 55.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.655 0.74 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 108.77 2.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -109.88 118.96 37.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.16 133.06 7.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.24 18.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -101.27 -72.32 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 p -78.58 -38.61 39.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 70.49 49.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -115.53 -65.51 1.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -174.85 122.17 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -66.45 111.81 7.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.39 169.56 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.28 163.79 25.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.411 HD12 ' CB ' ' A' ' 47' ' ' PHE . 19.5 mm -93.68 122.84 61.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 175.75 7.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -103.7 131.05 51.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -87.98 99.2 11.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.23 -179.96 38.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.88 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -77.47 91.88 3.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.2 p -87.05 -45.3 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.516 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -153.63 177.34 11.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -146.66 144.43 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.36 160.7 31.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -137.39 151.04 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.399 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -113.51 84.45 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.49 50.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -96.97 -66.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.778 0.323 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 40.04 50.03 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 p -108.2 130.67 55.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.69 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 1.9 m-85 -129.13 152.56 79.58 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.679 0.752 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -134.65 46.42 2.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.69 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -133.38 13.93 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 24' ' ' LEU . 2.2 m -139.39 -174.57 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HE2' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.78 95.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm -117.9 144.53 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -72.96 163.41 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.474 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -110.53 -11.03 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.7 mm -97.65 -45.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.92 -12.04 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.4 m80 57.84 51.89 8.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -126.19 135.19 51.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.87 121.49 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.702 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.7 pp -120.19 173.85 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.9 mp -128.36 -44.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -132.37 143.34 49.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.69 -142.38 7.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HB2' HG21 ' A' ' 43' ' ' VAL . 24.3 mm-40 -100.32 153.41 19.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 85.9 p -137.0 160.28 39.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 t -114.58 137.31 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.47 -7.63 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -79.17 -57.05 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 57' ' ' HIS . 26.7 p -109.13 -42.17 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.54 72.4 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HB ' ' ND2' ' A' ' 19' ' ' ASN . 2.8 pp -140.75 149.28 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 25.5 mtp85 -112.93 148.84 34.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.821 ' HE3' ' HG3' ' A' ' 56' ' ' PRO . 42.0 mtp -143.29 136.49 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.6 m80 -57.82 171.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -65.56 -57.24 15.02 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.663 0.745 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.2 Cg_endo -69.7 -13.28 34.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 40.8 m -84.69 -36.85 21.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' HIS . 80.1 t -74.32 -46.84 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.3 -51.54 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.21 -27.16 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 6.1 t80 -85.62 -26.87 25.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.7 m-85 -120.12 28.98 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.1 tt0 -33.7 -69.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -136.48 126.6 26.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -173.43 174.84 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.97 -41.67 12.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -144.35 115.66 5.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' CB ' HD11 ' A' ' 66' ' ' ILE . 54.0 Cg_endo -69.79 126.96 13.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.385 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 54' ' ' ARG . 17.3 mtm105 -112.35 132.83 54.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.5 t -55.49 129.45 69.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.821 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.8 Cg_endo -69.73 2.24 3.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 28.1 t60 -109.37 -65.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.4 p -87.91 -27.85 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 49.8 t30 61.71 54.45 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.62 -68.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -172.53 138.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -81.21 111.53 25.26 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -27.99 25.99 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -95.46 179.54 5.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.77 163.16 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 53' ' ' PRO . 28.0 mm -86.0 129.29 54.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.7 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.23 19.4 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.72 153.74 24.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.3 p -107.28 91.81 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.51 160.1 33.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.435 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.14 13.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.38 166.24 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.5 p -74.77 89.51 2.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.459 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -99.47 91.89 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -96.27 -50.03 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.34 -146.74 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 71.08 43.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.915 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -91.57 144.16 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.95 73.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -135.13 140.28 45.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.14 124.06 47.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.502 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -175.52 135.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.956 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 56.4 m-85 -152.8 152.95 29.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.67 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.365 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -125.88 -3.55 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.956 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -92.26 42.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.714 ' CG2' HD21 ' A' ' 24' ' ' LEU . 27.4 m -130.61 -173.04 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -41.3 109.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.507 HD13 HD22 ' A' ' 24' ' ' LEU . 12.4 mm -104.5 145.0 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.3 t -58.84 168.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -115.59 -22.85 9.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CG1' ' HB3' ' A' ' 42' ' ' CYS . 43.7 mm -84.55 -50.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.33 -12.77 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 68.55 25.05 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -100.58 159.94 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.714 HD21 ' CG2' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -65.35 129.3 39.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 1.8 pp -120.85 163.68 17.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 pt -151.74 117.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 70.01 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.65 -151.12 8.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.677 ' CG ' HG21 ' A' ' 43' ' ' VAL . 2.0 mm100 -88.64 151.35 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.3 p -138.68 160.95 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.6 t -115.12 129.99 56.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -95.67 -7.34 37.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -78.17 -51.94 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.3 p -111.93 -47.3 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.33 67.14 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' C ' HD12 ' A' ' 36' ' ' ILE . 2.5 pp -142.36 148.5 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 mtt85 -116.64 153.97 31.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.644 ' HB2' HG22 ' A' ' 43' ' ' VAL . 31.0 mtp -145.35 148.47 33.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.879 ' O ' HG23 ' A' ' 43' ' ' VAL . 49.4 m80 -63.66 167.28 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.546 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.04 -57.37 18.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 54.1 Cg_endo -69.76 -11.14 30.23 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 45.5 m -89.04 -37.81 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 39' ' ' HIS . 57.2 t -67.64 -45.12 85.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.52 -53.18 55.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -49.69 -25.42 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 12.8 t80 -95.2 -21.54 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -122.69 32.96 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 48' ' ' GLN . 8.1 tp60 -110.96 -42.2 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -72.13 -56.63 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -72.12 171.75 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.05 -62.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.71 111.46 29.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -111.67 120.94 43.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.5 t -45.56 130.66 6.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 1.45 4.42 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -109.44 -69.68 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -82.26 -30.25 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 60.55 54.47 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.07 -65.14 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -175.07 129.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -75.37 111.98 16.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.63 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -68.42 170.24 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.63 158.06 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.5 mm -87.65 126.87 60.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 171.88 13.67 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -111.74 165.73 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.0 p -94.53 161.67 14.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.33 -176.35 22.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.2 p -81.01 110.77 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 m -67.3 -51.28 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -162.53 139.16 7.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -133.17 166.25 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.35 139.95 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -129.63 173.29 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.835 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -59.18 -41.74 89.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.81 -110.42 2.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -97.03 151.13 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.07 120.19 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.619 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 15.2 p -145.78 145.46 30.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CD1' ' C ' ' A' ' 10' ' ' THR . 4.2 m-85 -148.01 153.17 41.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.664 0.745 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.79 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.5 -40.77 2.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.2 72.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 11' ' ' TYR . 11.6 m -142.43 -175.09 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 89.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.9 mm -106.02 140.73 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 t -61.41 166.74 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -111.92 -19.49 12.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -89.27 -42.59 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.49 -23.55 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 73.03 33.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 m -109.39 157.97 18.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -65.2 132.57 49.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.675 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -129.92 160.17 34.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 27' ' ' GLN . 7.8 tp -114.46 -44.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.495 ' N ' HG23 ' A' ' 26' ' ' ILE . 2.8 tp-100 -137.45 137.84 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.95 -138.12 4.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.752 ' HG3' HG21 ' A' ' 43' ' ' VAL . 32.9 mm-40 -102.53 158.14 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 p -145.36 161.48 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.2 t -116.55 141.6 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -102.35 -6.87 22.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -81.73 -57.29 3.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.39 -44.92 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -138.18 141.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 111.075 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HD2' HD11 ' A' ' 25' ' ' LEU . 86.9 mtt180 -106.74 155.34 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.684 ' HB2' HG22 ' A' ' 43' ' ' VAL . 15.0 mtp -145.46 136.41 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.829 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.3 m80 -56.62 170.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.9 mm? -64.65 -57.6 16.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.681 0.753 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -15.42 36.99 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 52.1 m -83.72 -36.48 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 39' ' ' HIS . 93.1 t -71.5 -41.85 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -67.22 -45.97 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -53.44 -32.44 49.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 9.2 t80 -85.14 -19.36 31.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CD2' HD12 ' A' ' 66' ' ' ILE . 25.0 m-85 -124.16 32.13 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -45.06 112.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 48' ' ' GLN . 1.1 t 31.8 47.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' ND2' ' CD1' ' A' ' 47' ' ' PHE . 42.2 p-10 -89.39 166.38 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -68.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -107.33 101.68 40.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.4 Cg_endo -69.75 125.59 12.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.736 2.291 . . . . 0.0 112.351 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -120.01 133.54 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 25.4 t -59.78 127.33 85.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.75 5.84 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -115.24 -62.21 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 59' ' ' ASN . 16.7 p -92.8 -23.88 18.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 14.7 t-20 71.25 41.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' TYR . 4.7 m-20 -117.88 145.51 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 18.5 t80 -36.6 129.39 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.488 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.9 t-105 -62.42 117.54 31.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.56 0.695 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -10.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -119.08 -176.36 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -94.94 168.56 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 53' ' ' PRO . 24.4 mm -94.39 131.72 30.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.129 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.71 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -140.02 128.12 22.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -90.3 118.04 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.77 173.32 39.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.59 60.52 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.9 p -85.28 -46.83 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.5 p -121.73 -47.47 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.19 -0.784 . . . . 0.0 112.434 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -163.24 165.64 24.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -158.08 153.66 26.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 40.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -126.06 87.73 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -87.41 150.87 23.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.17 -93.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -119.38 144.48 46.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -136.83 118.77 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.512 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 82.1 p -139.05 138.8 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.671 ' HB2' HG13 ' A' ' 15' ' ' VAL . 15.0 m-85 -146.67 152.77 45.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -49.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.37 -8.32 5.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -87.6 38.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.671 HG13 ' HB2' ' A' ' 11' ' ' TYR . 15.6 m -130.71 -30.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' CB ' ' HD2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -36.88 111.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.411 HD13 HD22 ' A' ' 24' ' ' LEU . 27.4 mm -91.74 141.19 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.78 166.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.95 -11.53 13.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.07 -50.31 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.4 p -105.85 -13.49 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.02 39.86 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.17 150.28 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -58.76 124.34 19.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.6 pp -125.34 176.33 6.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.81 -57.07 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -123.57 143.87 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.68 -137.06 4.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -111.46 154.89 24.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 30.2 t -144.94 161.86 38.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 t -109.11 132.81 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -86.38 -13.87 45.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.1 m -72.44 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -49.17 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.24 74.12 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.5 pp -140.92 135.62 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HD2' ' CB ' ' A' ' 16' ' ' LYS . 36.0 mtt180 -95.45 151.57 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.466 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.6 mtp -146.65 133.27 19.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.716 ' O ' HG23 ' A' ' 43' ' ' VAL . 60.6 m80 -55.48 164.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mm? -60.79 -57.31 27.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.71 -13.67 35.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 44.7 m -86.53 -31.5 21.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 39' ' ' HIS . 88.9 t -75.33 -44.33 42.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.98 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -55.43 -17.7 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 14.2 t80 -93.11 -26.3 17.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CD2' HD12 ' A' ' 66' ' ' ILE . 19.9 m-85 -104.89 9.75 34.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 144.14 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 t 71.1 32.24 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -169.6 148.13 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.47 -76.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.19 110.32 3.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.669 0.747 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.604 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.3 Cg_endo -69.78 173.33 11.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 2.2 mpt_? -153.74 117.32 4.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -50.61 127.35 24.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.7 2.79 3.19 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -112.71 -67.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.8 p -85.36 -25.56 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 54' ' ' ARG . 9.9 t-20 58.16 44.08 19.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.92 -66.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.403 ' O ' ' HD3' ' A' ' 63' ' ' PRO . 79.0 t80 -175.23 138.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -83.32 110.3 23.16 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.59 0.71 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 61' ' ' TYR . 53.8 Cg_endo -69.76 -7.85 22.1 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -112.53 173.31 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -175.41 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.756 HD12 ' CD2' ' A' ' 47' ' ' PHE . 29.1 mm -111.09 121.24 41.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.633 0.73 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.89 3.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.303 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -134.96 169.9 16.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -116.59 90.43 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.24 170.06 22.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 85.4 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.7 t -126.32 -56.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.9 m 56.54 42.04 27.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.447 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -94.38 130.78 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -92.45 -52.88 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.793 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.25 81.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -122.06 120.18 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 p -40.31 138.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.87 135.82 12.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -84.22 168.62 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -85.42 126.13 33.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -176.09 132.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 15.7 m-85 -136.91 152.55 74.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.661 0.743 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -134.96 43.06 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.614 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -134.93 36.13 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.4 m -144.48 -176.15 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.633 ' HB3' HD11 ' A' ' 25' ' ' LEU . 2.6 mppt? -64.53 88.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mm -108.67 140.7 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.3 t -62.56 168.52 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -114.56 -27.29 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.6 HD11 ' HE3' ' A' ' 38' ' ' MET . 50.4 mm -80.03 -44.02 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.68 -23.82 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 m80 71.09 39.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -114.61 143.94 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 25' ' ' LEU . 1.2 tm? -50.91 130.98 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.712 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.4 pp -127.74 167.97 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.5 mt -96.24 -67.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -126.41 -68.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 40' ' ' LEU . . . 48.98 -144.84 7.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.56 ' HB2' HG21 ' A' ' 43' ' ' VAL . 2.6 mm100 -102.3 152.77 20.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -135.77 160.47 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.5 t -114.54 136.09 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -92.38 -15.51 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.8 m -71.65 -58.59 3.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.8 p -104.3 -47.49 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.86 41.49 0.77 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.492 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -112.31 140.77 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' NH1' ' HG3' ' A' ' 16' ' ' LYS . 51.8 mtt85 -104.4 151.5 23.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.662 ' HB2' HG22 ' A' ' 43' ' ' VAL . 24.0 mtp -144.14 142.15 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.907 ' O ' HG23 ' A' ' 43' ' ' VAL . 38.1 m80 -59.9 166.13 2.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -61.88 -57.69 22.57 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.2 Cg_endo -69.78 -12.99 33.98 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.276 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.7 m -87.53 -36.46 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 39' ' ' HIS . 65.1 t -67.98 -46.79 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.451 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -65.36 -45.85 82.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -52.55 -25.56 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 11.4 t80 -95.55 -23.98 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -116.34 35.06 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -99.62 141.78 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 t 58.46 38.39 25.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -133.94 161.53 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.09 -43.32 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -123.9 104.26 33.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 132.9 24.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -122.25 119.46 31.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 54.0 t -48.05 129.84 12.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 5.47 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -115.3 -70.69 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -80.16 -24.74 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 5.8 t-20 71.81 35.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.9 m-20 -117.75 147.57 42.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 43.4 t80 -35.87 125.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -62.74 114.1 11.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -41.73 4.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -73.82 173.02 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.14 162.06 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.24 126.49 41.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.9 Cg_endo -69.78 159.53 53.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.26 . . . . 0.0 112.352 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -79.71 175.25 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.4 p -105.33 -20.76 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.3 169.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.29 68.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -63.62 174.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 p -125.92 93.49 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.508 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -114.77 162.28 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -161.07 170.98 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 124.73 1.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -41.98 163.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -161.4 169.29 22.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.33 127.91 1.04 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -168.16 170.49 10.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.2 113.41 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 67.7 p -136.2 132.69 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.726 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 27.2 m-85 -149.99 152.04 33.31 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.671 0.748 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.327 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.17 34.94 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.726 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -126.98 29.32 5.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.504 ' C ' ' HE3' ' A' ' 16' ' ' LYS . 1.4 m -142.84 175.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HE3' ' C ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -79.77 100.81 8.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.4 mm -118.81 137.18 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -62.78 167.27 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 -17.4 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.452 HD11 ' HE3' ' A' ' 38' ' ' MET . 27.5 mm -90.01 -43.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -115.75 -21.21 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m170 70.65 41.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 m -114.22 145.22 42.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.31 127.21 21.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.8 pp -127.12 166.8 16.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.9 mt -122.56 -65.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -120.57 113.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.44 -135.22 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HB2' HG21 ' A' ' 43' ' ' VAL . 9.7 mm-40 -118.14 150.29 39.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -137.62 161.84 35.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -103.11 122.27 44.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -84.01 23.65 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.6 m -115.03 -57.98 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' SG ' HG23 ' A' ' 36' ' ' ILE . 24.2 p -106.3 -47.11 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.32 64.19 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 pp -130.63 134.59 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' NE ' ' HG3' ' A' ' 16' ' ' LYS . 82.8 mtt-85 -101.29 149.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.619 ' HB2' HG22 ' A' ' 43' ' ' VAL . 28.2 mtp -145.52 132.79 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.596 ' O ' HG23 ' A' ' 43' ' ' VAL . 67.3 m80 -54.0 168.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -61.76 -57.35 24.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.78 -16.09 37.3 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 36.5 m -82.12 -38.46 24.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.619 HG22 ' HB2' ' A' ' 38' ' ' MET . 70.7 t -68.83 -46.77 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.75 72.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -51.98 -29.7 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -92.65 -17.37 24.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -128.05 42.25 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 49' ' ' SER . 12.8 pt20 -87.75 -47.13 8.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 48' ' ' GLN . 86.5 p -111.4 83.33 1.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -175.48 159.61 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.62 -59.26 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -106.6 118.56 54.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.26 42.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.337 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -129.71 131.64 46.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.1 t -60.42 129.17 88.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.46 12.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.06 -69.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.9 p -83.57 -35.45 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 68.69 45.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -106.24 -65.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -175.46 142.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -87.84 110.88 38.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -42.62 3.32 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -78.09 176.61 9.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -89.51 164.27 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.59 127.09 49.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.92 25.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -130.91 128.03 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -89.41 133.95 34.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.97 176.55 25.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.44 3.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.4 p -109.89 142.44 41.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.21 150.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -146.36 171.17 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -110.95 177.83 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.34 128.56 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -138.89 175.76 9.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -88.5 176.86 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.57 154.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -155.7 109.64 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.3 pm0 -81.74 127.87 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.471 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -175.46 133.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.649 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 15.6 m-85 -143.91 151.24 52.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.06 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.56 38.31 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.649 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -134.36 29.36 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.518 HG13 ' HB2' ' A' ' 11' ' ' TYR . 5.9 m -134.39 -173.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.7 102.37 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.5 mm -119.75 151.87 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 12.2 t -75.36 167.01 22.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -113.66 -12.84 12.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.481 HD11 ' HE3' ' A' ' 38' ' ' MET . 27.0 mm -93.19 -39.13 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -121.15 -14.35 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.9 m170 62.71 48.68 4.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -126.12 148.75 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -53.17 129.3 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.512 HD21 ' HG3' ' A' ' 37' ' ' ARG . 1.2 pp -124.56 173.93 8.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -164.27 129.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 61.96 46.15 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -117.88 -154.57 9.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.567 ' HB2' HG21 ' A' ' 43' ' ' VAL . 26.5 mm-40 -92.19 133.98 35.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -127.63 148.28 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.0 t -90.14 124.95 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -92.65 21.43 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.7 m -113.79 -62.11 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.5 p -94.23 -49.97 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.61 27.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.484 ' C ' HD12 ' A' ' 36' ' ' ILE . 1.9 pp -113.99 141.3 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HG3' HD21 ' A' ' 25' ' ' LEU . 9.4 ptp180 -122.64 163.93 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.571 ' HB2' HG22 ' A' ' 43' ' ' VAL . 10.5 mtp -141.56 157.66 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.869 ' O ' HG23 ' A' ' 43' ' ' VAL . 65.1 m80 -65.23 173.84 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.0 mm? -66.77 -57.25 12.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.75 -14.09 35.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 54.5 m -84.79 -38.75 19.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 39' ' ' HIS . 93.2 t -65.97 -50.26 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -63.54 -51.52 65.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -50.9 -30.11 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -92.46 -18.28 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.97 37.86 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.7 pt20 -105.73 -30.75 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -89.08 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASN . 25.4 p-10 -53.44 157.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.93 -50.32 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.56 116.02 64.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 119.07 6.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 0.0 112.382 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.5 139.82 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 37.8 t -68.32 128.44 93.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.53 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -115.77 -68.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.3 p -83.32 -26.67 30.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 8.4 t30 74.91 38.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.37 153.61 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 62' ' ' TRP . 6.2 t80 -44.74 129.09 7.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.563 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 8.5 t-105 -54.01 113.27 4.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 3.61 2.63 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -131.27 178.23 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 29' ' ' GLN . 22.6 pt-20 -82.14 168.72 17.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.2 mm -104.08 121.09 48.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.423 ' CG ' ' HB ' ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 -173.23 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -128.87 162.17 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.3 m -53.65 -60.89 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.05 172.38 39.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.83 36.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.391 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.3 p -87.47 154.38 20.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.4 p 39.36 42.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.531 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -83.27 114.85 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -151.69 148.43 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.5 -171.16 43.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -83.93 42.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m -86.35 170.92 11.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.43 76.47 0.31 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 10' ' ' THR . 16.7 ttp180 -86.73 133.32 33.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 1.2 pm0 -51.2 117.5 2.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 8' ' ' ARG . 44.2 p -127.74 88.25 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 4.3 m-85 -139.31 150.12 63.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.681 0.753 . . . . 0.0 110.943 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -132.22 41.5 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.762 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -132.01 31.44 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.872 HG21 ' CD2' ' A' ' 24' ' ' LEU . 33.9 m -134.81 -173.44 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.582 ' O ' HD11 ' A' ' 25' ' ' LEU . 1.6 mppt? -75.48 56.28 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.97 145.72 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.97 166.03 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.481 ' ND2' ' HB ' ' A' ' 36' ' ' ILE . 1.5 m-80 -111.74 -18.73 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.97 -42.66 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.83 -18.19 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 66.21 31.2 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -100.58 164.49 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.872 ' CD2' HG21 ' A' ' 15' ' ' VAL . 0.6 OUTLIER -71.67 129.31 38.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.772 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.4 pp -132.86 162.92 30.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.7 mt -130.6 -44.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -130.16 119.72 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.24 -139.57 3.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.666 ' CG ' HG21 ' A' ' 43' ' ' VAL . 15.5 mm100 -102.16 137.31 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -121.93 161.97 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.0 t -108.93 117.68 34.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -83.68 30.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.435 HG21 ' OD2' ' A' ' 60' ' ' ASP . 86.0 m -120.89 -56.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.632 ' SG ' HG23 ' A' ' 36' ' ' ILE . 26.1 p -108.5 -47.42 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.52 40.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.632 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.4 pp -112.33 144.53 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -116.77 147.9 41.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.781 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.3 mtp -139.46 128.68 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.705 ' O ' HG23 ' A' ' 43' ' ' VAL . 51.0 m80 -48.7 156.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.8 mm? -51.79 -57.0 16.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.7 -16.17 37.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.339 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 37.6 m -85.66 -30.96 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 38' ' ' MET . 88.4 t -73.67 -46.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -62.99 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -54.13 -32.63 55.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 5.8 t80 -85.42 -24.49 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.619 ' CD2' HD12 ' A' ' 66' ' ' ILE . 20.6 m-85 -119.44 34.22 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.9 tt0 -42.51 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 48' ' ' GLN . 6.2 t 31.93 48.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -86.84 -176.32 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.35 -70.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -112.39 105.98 55.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.539 ' HB3' HD11 ' A' ' 66' ' ' ILE . 53.6 Cg_endo -69.69 115.95 4.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -108.94 128.67 55.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 35.7 t -54.44 127.18 57.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.501 ' HG3' ' HE3' ' A' ' 38' ' ' MET . 53.8 Cg_endo -69.69 5.49 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CG ' HG21 ' A' ' 36' ' ' ILE . 72.2 t60 -116.81 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.5 p -91.26 -26.82 18.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 36.0 t-20 74.71 41.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' A' ' 33' ' ' THR . 77.2 m-20 -117.83 144.38 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -37.89 124.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -57.36 114.24 7.84 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -131.46 -176.93 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -95.79 160.03 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 47' ' ' PHE . 15.9 mm -86.08 135.44 37.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.453 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.81 158.35 57.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -93.77 147.12 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.0 t -103.0 41.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.74 162.93 37.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 152.72 69.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.368 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.7 m -78.99 126.37 30.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.6 p -65.41 -48.27 73.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.506 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -66.65 165.2 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -54.54 103.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.1 -78.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 54.31 41.41 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -88.14 122.16 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -87.6 159.57 30.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' O ' HG23 ' A' ' 10' ' ' THR . 11.3 ptt180 38.28 34.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.316 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -44.52 130.06 6.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 8' ' ' ARG . 33.7 p -131.71 152.33 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.715 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 12.2 m-85 -154.23 153.13 27.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.06 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.355 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -130.74 36.98 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.715 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -134.75 38.09 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.45 -2.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -85.06 103.12 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -78.22 139.29 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 t -60.8 169.27 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -111.93 -25.31 9.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -85.32 -48.13 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.79 -19.16 13.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.9 m80 62.12 50.16 4.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -121.23 142.31 50.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -52.47 118.45 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 25' ' ' LEU . 1.7 pp -123.25 164.83 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.4 pt -126.58 -29.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -138.03 141.85 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.94 -140.34 6.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.683 ' HG3' HG21 ' A' ' 43' ' ' VAL . 26.0 mm-40 -102.95 161.69 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' ARG . 58.8 p -146.5 150.83 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.03 135.23 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.83 -14.63 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -73.67 -61.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.5 p -100.92 -47.61 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.79 58.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.6 pp -126.08 140.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 30' ' ' SER . 11.0 mtp85 -101.15 152.01 21.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.6 mtp -145.33 150.08 35.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 56.5 m80 -72.56 159.67 33.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 4.1 mm? -56.0 -56.56 29.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.7 Cg_endo -69.75 -16.92 37.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.395 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 35.4 m -83.32 -37.9 22.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.683 HG21 ' HG3' ' A' ' 29' ' ' GLN . 54.5 t -67.99 -48.47 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.41 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -59.81 -30.84 69.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 15.6 t80 -91.61 -25.22 19.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CD1' ' CB ' ' A' ' 53' ' ' PRO . 22.8 m-85 -113.14 30.88 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -43.99 169.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 48' ' ' GLN . 3.1 m -32.34 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 48' ' ' GLN . 18.2 p30 -141.21 -175.26 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 6.4 mp0 -118.93 107.73 41.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.625 0.726 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.574 ' CB ' ' CD1' ' A' ' 47' ' ' PHE . 53.8 Cg_endo -69.74 143.32 50.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.353 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -121.23 126.54 49.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' ASN . 44.3 t -59.52 129.02 86.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.82 5.47 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -117.56 -46.4 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 60' ' ' ASP . 29.8 p -118.76 18.34 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' CYS . 62.0 t30 32.62 35.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 58' ' ' CYS . 16.0 t0 -103.26 153.95 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.12 120.44 6.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -49.3 110.94 1.71 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.19 37.26 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -105.35 177.97 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -82.95 171.55 13.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' A' ' 47' ' ' PHE . 50.8 mm -105.03 126.03 32.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 53.3 Cg_endo -69.78 171.52 14.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.719 2.279 . . . . 0.0 112.31 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -97.37 158.14 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.3 p -112.71 83.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 162.14 32.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 153.69 68.68 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -44.11 -54.72 5.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -157.5 151.67 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.507 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 t -92.64 138.95 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -108.73 132.91 53.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.48 148.43 26.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.471 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' GLY . 20.2 m -34.67 112.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -110.15 94.04 4.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.38 -143.35 14.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -46.71 135.77 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -113.51 179.96 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -85.28 143.72 28.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.607 ' CB ' ' HB3' ' A' ' 14' ' ' ALA . 5.8 m-85 -131.35 153.26 81.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -53.01 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.34 45.87 2.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB3' ' CB ' ' A' ' 11' ' ' TYR . . . -134.98 27.93 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG21 HD21 ' A' ' 24' ' ' LEU . 5.5 m -143.84 -174.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -55.69 97.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 24' ' ' LEU . 35.8 mm -113.09 158.56 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.522 ' N ' HG22 ' A' ' 17' ' ' ILE . 11.1 t -77.9 167.22 21.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.44 -7.42 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.7 mm -103.36 -49.12 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.61 -10.93 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.4 m80 61.49 34.56 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.2 m -103.51 139.33 38.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD21 HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -49.19 123.77 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB3' ' NE2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -117.39 179.62 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -130.42 -66.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -131.67 98.65 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.69 -136.27 3.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' CG ' HG21 ' A' ' 43' ' ' VAL . 3.9 mm100 -105.21 136.2 45.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -118.48 148.62 42.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.9 t -97.92 127.0 43.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -94.11 24.09 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -112.42 -60.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 p -104.31 -45.65 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 70.85 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' C ' HD12 ' A' ' 36' ' ' ILE . 2.7 pp -146.02 150.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -113.71 154.09 27.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.453 ' HB2' HG22 ' A' ' 43' ' ' VAL . 38.8 mtp -146.19 141.3 27.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.895 ' O ' HG23 ' A' ' 43' ' ' VAL . 37.0 m80 -58.81 164.67 2.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.6 mm? -60.76 -57.74 24.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 53.6 Cg_endo -69.74 -11.81 31.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 46.9 m -89.26 -20.81 23.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 39' ' ' HIS . 53.3 t -88.62 -47.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' GLN . . . -60.32 -56.39 22.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -53.04 -40.0 63.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 56' ' ' PRO . 5.9 t80 -70.02 -34.24 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -107.12 19.96 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.0 tp60 -92.23 155.22 18.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m 49.46 52.68 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' C ' ' OD1' ' A' ' 50' ' ' ASN . 30.7 p30 -149.89 -178.93 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.05 -65.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -117.98 121.05 31.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 138.48 37.78 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.286 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -132.65 117.21 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 53.5 t -42.95 132.84 3.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.71 6.75 1.17 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -117.91 -68.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.92 -3.44 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' CYS . 41.3 t30 48.08 38.7 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.43 170.14 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -54.57 130.05 38.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 10.8 t-105 -63.59 114.42 13.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.72 -13.39 34.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -109.55 -179.87 3.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.98 169.61 11.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.4 mm -100.12 126.75 35.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HG2' ' HB2' ' A' ' 44' ' ' ALA . 53.8 Cg_endo -69.73 174.61 9.23 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -98.41 153.17 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.6 p -124.0 43.55 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.43 164.19 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -178.21 2.22 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -119.57 146.09 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.4 p -118.79 41.57 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_