data_1fqq_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 1fqq _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' ASP . . . . . 0.809 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.0 t -85.46 -72.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.809 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -38.06 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -48.97 -44.86 41.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -71.87 -30.05 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -60.52 -21.66 62.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -104.76 5.08 33.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.08 17.36 67.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -59.19 148.56 31.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 1.1 pp -81.71 164.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 m -114.36 113.54 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 27.6 m-70 -148.33 124.24 5.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -74.96 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.509 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 67.08 -76.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' A' ' 20' ' ' CYS . 4.4 p90 -144.36 -161.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 15.3 p -147.74 121.74 4.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.268 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 78.54 168.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.18 12.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.733 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.45 164.09 23.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 13.2 ttmt -173.22 155.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.512 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 42.5 tt0 -168.5 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.33 41.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.87 -154.19 21.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.558 ' CG2' ' O ' ' A' ' 33' ' ' PRO . 7.3 m -138.61 -170.17 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 3.6 t -120.13 -56.25 2.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.691 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.66 -127.1 1.88 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.857 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -73.55 -27.15 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -75.02 153.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.86 37.11 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.482 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -49.94 161.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.409 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.1 mmmm -112.46 103.73 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 1.8 t -84.45 136.9 33.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.733 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.1 t -121.39 139.77 53.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -140.42 176.39 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -66.94 112.81 10.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.66 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.66 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.94 -57.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.424 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.5 t -77.27 -60.7 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.524 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -45.38 -29.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -50.76 -44.65 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.317 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -69.49 -35.67 75.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -59.55 -22.19 61.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.413 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 1.4 m -102.61 7.39 39.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.69 12.55 64.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -64.06 121.57 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.631 HD13 ' CD2' ' A' ' 16' ' ' HIS . 1.0 OUTLIER -67.39 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.69 117.44 34.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.631 ' CD2' HD13 ' A' ' 14' ' ' ILE . 2.8 p80 -145.65 108.94 4.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.602 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 83.51 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.602 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.77 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 9.5 p90 -128.09 -175.14 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -112.56 94.36 27.43 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.01 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.02 172.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -73.76 15.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.693 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -73.54 164.65 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 9.4 tttm -159.69 163.61 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.68 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 15.4 tp60 166.99 -68.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.66 46.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 37' ' ' CYS . . . -101.6 177.86 27.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -113.31 -174.63 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.564 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 1.8 t -156.23 84.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.77 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.765 ' O ' ' OG1' ' A' ' 35' ' ' THR . 0.9 OUTLIER -61.38 147.47 87.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.56 42.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.06 85.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.765 ' OG1' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.26 150.46 33.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.728 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -118.59 101.88 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -100.44 127.9 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.254 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -129.38 138.62 51.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.689 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -130.96 -175.08 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.639 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.4 ttpt -45.46 140.63 4.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.02 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.567 1.825 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.9 t -74.24 -59.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -47.38 -25.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.444 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -45.22 -27.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.334 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -78.68 -44.23 24.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.6 tptt -41.25 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.1 m 152.77 44.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . -111.3 -33.24 2.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . 161.64 167.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.1 pt -76.93 160.17 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 34.4 m -105.64 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.657 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 4.7 p80 -149.72 136.15 10.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.585 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 147.68 34.42 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 77.29 178.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' A' ' 18' ' ' VAL . 18.4 p90 -42.34 169.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -90.73 120.1 68.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.312 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.94 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 59.22 166.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 20.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.874 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.8 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -151.11 110.0 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.8 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -105.56 154.64 20.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -173.5 23.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.14 -176.35 18.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.539 HG21 ' CB ' ' A' ' 35' ' ' THR . 3.8 m -128.12 -162.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.577 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 3.6 t -140.51 -99.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -136.18 -54.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.666 ' CD2' HG22 ' A' ' 35' ' ' THR . 1.1 pp -43.76 170.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.539 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.93 63.24 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.666 HG22 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.17 162.7 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -123.99 105.39 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 6.0 t -98.97 112.74 24.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.874 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.3 t -114.63 140.09 49.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 108.243 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.646 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 2.9 ptpt -124.5 179.39 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.3 137.75 96.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.715 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.1 t -77.59 -71.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.715 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -42.04 -25.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -42.98 -39.46 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -67.87 -43.59 79.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' THR . 1.2 tptt -64.94 -17.46 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -86.52 4.05 41.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.91 8.71 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -86.77 150.17 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -97.02 161.02 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 m -106.95 118.81 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.638 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 3.4 p80 -148.73 106.03 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.561 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.0 81.46 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.561 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.55 -100.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 6.1 p90 -124.26 -176.86 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -112.71 95.41 32.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 64.31 174.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -69.84 12.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.72 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -75.01 162.85 28.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -156.53 155.71 32.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.718 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 0.2 OUTLIER 171.08 -137.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.718 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.97 34.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' N ' HE21 ' A' ' 26' ' ' GLN . . . -93.21 -168.81 39.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 33' ' ' PRO . 9.2 m -132.16 -168.32 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 4.4 t -116.46 -62.71 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.668 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -142.64 -125.46 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.842 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.04 -28.87 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.842 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 153.05 41.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.35 38.04 1.17 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -50.5 159.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.404 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 14.3 mmmt -108.05 109.61 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.562 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 1.9 t -98.38 127.37 44.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.655 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 2.0 t -121.96 154.17 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.72 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -148.73 177.35 9.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.641 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -65.26 135.86 96.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.796 ' HD2' ' N ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -74.97 -40.51 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.796 ' N ' ' HD2' ' A' ' 4' ' ' ASP . 1.6 t -89.96 -74.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.718 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -36.24 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -41.05 -35.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -79.97 -46.04 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' SER . 4.5 tptt -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 153.34 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -105.11 -41.36 1.95 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . 169.59 170.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -70.17 165.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 35.9 m -108.59 113.39 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 21.5 m-70 -149.59 146.83 21.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.04 148.92 35.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 5.9 m 36.94 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 18' ' ' VAL . 30.0 m-85 -39.97 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 p -123.64 138.7 30.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 108.302 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' O ' ' CZ ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.93 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 68.12 166.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -77.07 20.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.75 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.31 -165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 16.2 tptt -152.16 119.05 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.9 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -101.65 152.61 20.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -170.94 21.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 -165.9 10.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.515 HG23 ' CB ' ' A' ' 35' ' ' THR . 4.1 m -131.46 -166.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.345 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.59 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 3.9 t -140.17 -96.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -137.83 -53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' CD2' HG23 ' A' ' 35' ' ' THR . 1.1 pp -46.1 171.22 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' N ' HD11 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.01 104.38 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 62.94 2.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.663 HG23 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.87 175.66 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.366 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -140.11 104.84 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 2.9 t -93.2 121.34 34.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.9 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -103.73 131.46 50.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.686 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.92 174.55 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.591 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.2 ptpt -64.96 138.91 97.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.544 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.83 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.659 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.98 -89.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.2 t -64.9 -58.16 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.442 ' CG2' ' CG ' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -40.79 -31.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.83 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -55.61 -45.76 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -67.51 -32.2 72.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -55.34 -20.04 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.44 ' CB ' ' HE2' ' A' ' 39' ' ' LYS . 71.8 m -110.5 17.36 20.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 10.07 84.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.616 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . . . -78.74 135.75 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.63 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -94.02 156.24 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.3 m -106.69 118.17 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.688 ' CE1' ' HB2' ' A' ' 38' ' ' CYS . 1.7 p80 -142.63 107.37 5.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.575 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.3 Cg_endo -75.03 77.81 3.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.575 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.79 -102.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.632 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 64.1 m-85 -113.44 -174.77 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -116.49 85.67 16.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.5 mmp_? 75.0 166.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -68.56 8.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.711 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -77.45 163.2 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -155.95 152.52 28.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.573 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 46.3 tp60 177.76 -76.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.05 55.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -133.19 129.97 5.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.491 ' O ' ' O ' ' A' ' 28' ' ' GLY . 3.0 m -48.93 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.52 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 47.2 t -145.27 -105.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.63 -83.63 1.63 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' O ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER -47.43 165.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.08 39.29 16.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.596 ' OG1' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.9 153.83 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.426 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -128.26 104.32 7.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 7.2 t -99.71 134.12 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 108.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -118.1 150.56 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 108.262 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -129.81 -174.54 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 9.1 pttm -67.09 147.12 99.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.69 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.03 -54.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.0 t -75.5 -71.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.69 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.24 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.627 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -42.55 -31.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 108.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -74.47 -45.84 43.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' THR . 9.4 tptm -58.12 -16.63 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 6.4 m -93.94 -12.45 28.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.5 57.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.599 ' CB ' ' CG ' ' A' ' 39' ' ' LYS . . . -64.23 152.82 39.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.622 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -101.48 156.44 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.4 m -106.23 119.63 39.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.678 ' CE1' ' HB2' ' A' ' 38' ' ' CYS . 1.2 p80 -142.19 107.53 5.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.538 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.97 70.72 5.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 174.83 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 2.2 p90 -122.18 -172.43 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 90.99 26.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.368 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.23 16.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 74.82 173.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -71.3 13.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.685 ' CE1' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -79.77 163.15 24.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -157.95 155.15 28.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.363 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.719 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 5.5 tp-100 176.59 -133.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.719 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.48 43.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.427 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -109.07 -168.07 20.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 35' ' ' THR . 6.6 m -135.28 -166.23 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 6.1 t -144.44 -62.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -115.56 -148.35 9.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.928 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.57 -20.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.928 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.52 45.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.76 157.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.357 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -112.23 115.07 28.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.531 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 1.6 t -103.11 127.58 50.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.265 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.678 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 2.7 t -122.92 153.19 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.665 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 5.5 mtpt -139.73 -174.64 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.685 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 2.4 pttt -67.26 142.05 96.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.441 1.759 . . . . 0.0 110.978 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.01 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.1 t -78.29 -71.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.723 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -40.38 -25.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -44.5 -30.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -72.1 -40.31 68.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 7' ' ' THR . 3.2 tptm -56.35 -19.46 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.67 6.86 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.17 5.38 71.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -62.7 144.21 56.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 38' ' ' CYS . 1.1 pp -93.54 162.68 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 27.1 m -113.01 114.02 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 24.7 m-70 -146.8 143.35 18.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.09 146.77 32.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 39.59 -159.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 26.0 m-85 -33.86 140.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 p -107.01 141.07 22.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 -176.55 2.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER 66.53 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -78.82 22.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -65.85 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -154.57 103.77 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.794 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -77.88 148.74 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -167.73 21.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.95 -168.15 12.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.573 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 8.1 m -129.09 -166.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER 172.6 57.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.752 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . 146.95 152.33 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.844 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.09 -30.6 5.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.01 52.42 3.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 33.84 61.65 0.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.622 ' OG1' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -63.63 164.24 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.376 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 4.0 mmmt -118.98 108.51 14.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.9 t -92.98 120.6 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.794 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -95.77 128.61 42.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.617 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.2 168.23 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 12.8 tttt -65.7 137.2 96.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.706 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.05 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.682 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.0 t -79.54 -74.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.706 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -38.5 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.37 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.552 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -40.56 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.682 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -82.98 -45.49 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 11' ' ' SER . 29.9 tptt -40.23 -29.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.66 45.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . -110.41 -36.47 1.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . 168.93 167.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -66.8 162.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.3 m -112.47 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.327 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 12.0 m-70 -141.9 106.25 5.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.03 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.55 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER 173.65 -96.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD1' ' HB ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -121.26 -149.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.4 102.55 4.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.31 8.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 64.56 170.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -77.2 21.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.71 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.43 -165.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -152.15 117.47 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.809 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -105.17 153.38 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -169.89 21.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.87 -171.28 12.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 7.4 m -127.89 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 3.9 t -137.53 -58.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -125.09 -146.86 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.911 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -88.53 -21.34 0.26 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.911 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.0 52.76 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 28.01 44.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.52 158.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 5.2 mmmt -116.17 110.0 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.2 t -94.9 116.28 28.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.809 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 1.2 t -108.23 134.76 50.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.632 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -118.27 175.65 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.22 138.36 97.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.633 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.02 -65.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.61 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 t -73.63 -63.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.51 ' CG2' ' CG ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -43.15 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -44.79 -27.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -80.89 -47.62 13.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.604 ' O ' ' CB ' ' A' ' 11' ' ' SER . 10.3 tptt -38.63 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.9 p 150.87 42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 8' ' ' CYS . . . -104.41 -40.12 2.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.583 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . 169.74 161.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.64 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -65.31 160.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 35.9 m -108.36 113.68 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.514 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 8.6 m-70 -140.92 107.44 6.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.572 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.98 75.74 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.572 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.95 -90.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.09 -159.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -134.03 99.15 13.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.8 mmp_? 73.54 169.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 19.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.77 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.58 -164.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -152.33 115.69 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.828 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -102.31 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 176.2 24.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.81 -178.44 17.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.507 ' CG2' ' OG1' ' A' ' 35' ' ' THR . 3.8 m -118.91 -167.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 6.9 t -139.8 -107.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.7 -73.15 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -47.34 161.31 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 124.78 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.38 44.7 7.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.544 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -82.79 154.11 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.396 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -118.76 105.27 11.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.4 t -99.89 114.49 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -103.19 136.9 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.682 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.13 169.85 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.591 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -63.57 138.41 97.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.665 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.665 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.03 -35.85 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.7 t -92.97 -64.96 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.79 -29.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -43.71 -38.21 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.506 ' CD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.63 -46.5 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 11' ' ' SER . 28.2 tptt -39.32 -30.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.03 44.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.03 -40.1 1.74 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -173.04 159.79 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pp -69.32 162.45 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 6.0 m -100.58 115.32 29.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.468 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 34.0 m-70 -159.04 126.66 2.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.544 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.5 Cg_endo -74.95 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 5.8 m 51.79 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 18' ' ' VAL . 92.7 m-85 -48.86 -178.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -115.92 121.87 33.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.0 mmp_? 61.55 174.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 17.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.645 ' CE1' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -81.49 163.39 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.7 ttpp -159.95 161.84 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.723 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 5.1 tp60 -179.77 -129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.723 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 163.25 53.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -125.04 -167.93 12.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.545 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 7.6 m -131.4 -164.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.557 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 8.0 t -142.99 -67.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.649 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -116.32 -146.98 8.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.95 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -89.53 -20.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.95 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 53.22 3.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.48 42.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.557 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -53.35 170.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.761 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -124.25 131.01 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.678 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -110.09 119.66 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 108.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.635 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 1.5 t -107.0 163.86 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.617 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 10.8 tptp -159.44 174.97 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.645 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.8 134.23 95.16 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.548 1.814 . . . . 0.0 110.996 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.68 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.677 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.9 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' C ' ' N ' ' A' ' 8' ' ' CYS . 2.0 t -77.97 -60.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.581 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -44.72 -23.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.414 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.68 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -60.93 -55.13 36.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.298 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.29 -11.18 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.678 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.4 tptp -35.61 -39.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 5.1 t 142.9 76.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 -25.17 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -112.77 120.77 42.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -79.23 163.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 55.1 m -108.02 113.32 26.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 18.2 m-70 -147.39 143.84 18.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.06 148.18 34.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 19' ' ' PHE . 6.4 m 39.74 -156.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' N ' HG22 ' A' ' 18' ' ' VAL . 40.2 m-85 -35.44 154.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.59 138.74 22.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.04 175.55 11.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 70.35 165.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -76.7 20.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.708 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -69.81 -163.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 24.1 tttm -150.56 118.55 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.849 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -105.16 152.12 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -171.49 24.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.44 -168.22 11.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -129.82 -168.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.435 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.546 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 4.8 t -139.59 -95.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.447 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -135.91 -54.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' CD2' HG23 ' A' ' 35' ' ' THR . 1.2 pp -46.36 170.23 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.92 104.7 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.59 61.86 2.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.608 HG23 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.33 169.99 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.415 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.89 100.68 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.517 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 1.1 t -91.8 123.13 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.249 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.849 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -107.91 142.5 37.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -139.16 -179.15 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.3 pttt -56.01 137.11 73.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.58 ' HD2' ' CG ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -54.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 8' ' ' CYS . 1.8 t -78.36 -70.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.721 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -38.67 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.697 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -48.5 -41.61 30.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.229 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -69.16 -27.64 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' THR . 7.1 tptt -53.05 -21.4 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 11' ' ' SER . 1.9 t -113.81 18.12 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.65 8.0 83.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.511 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -84.35 125.83 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.635 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 2.2 pt -90.11 163.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 5' ' ' PRO . 3.8 m -113.36 115.54 28.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.654 ' CE1' ' HD2' ' A' ' 21' ' ' PRO . 3.5 p80 -144.04 140.55 17.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 161.86 38.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 64.86 -170.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' VAL . 36.0 p90 -45.89 174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 114.5 64.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.4 Cg_endo -74.98 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.22 160.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TYR . 3.2 mtp-105 -81.54 26.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.673 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.76 -149.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -152.38 175.3 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.619 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 45.5 tp60 92.25 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.57 43.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.644 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -107.33 140.46 15.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.3 m -40.69 178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.661 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 40.4 m -115.34 -57.84 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -134.36 -132.29 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.854 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -74.7 -28.62 0.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.854 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 163.62 34.86 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.58 35.07 1.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.661 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.24 172.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -139.33 96.58 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 38.3 t -91.15 128.47 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.673 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -124.15 136.65 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.553 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -118.43 172.42 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.589 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.89 141.04 97.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.639 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -15.4 20.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.418 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.7 t -110.33 -64.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.406 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -48.55 -33.0 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 1.7 t -51.99 -38.33 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.77 -37.04 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -57.25 -31.14 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -87.6 -11.19 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.16 31.65 66.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -104.47 143.57 32.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.673 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -77.82 165.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -106.74 116.78 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 108.311 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.673 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 7.1 p80 -154.38 134.21 7.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.513 ' C ' ' CG1' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.02 156.92 42.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.513 ' CG1' ' C ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 73.84 -169.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 53.7 m-85 -49.02 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -108.48 119.51 49.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.97 170.17 21.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 62.06 166.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -77.53 21.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.788 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -61.27 -154.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 5.2 tttt -153.28 109.94 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.77 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -103.51 160.53 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -179.18 19.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.36 -167.07 11.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -140.89 -163.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 29' ' ' THR . 1.8 t -126.89 -45.0 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 147.62 -30.67 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.741 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -51.57 -165.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.741 ' CD ' ' CB ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 73.87 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.56 66.79 1.83 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.542 ' CG2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.08 170.34 16.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.419 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.65 111.04 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.636 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.2 t -98.13 120.7 39.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.788 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.7 t -117.82 137.43 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -124.66 -179.37 4.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.615 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 20.1 tttt -65.66 135.89 95.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.724 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.5 Cg_endo -74.98 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.55 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.7 t -77.9 -71.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.724 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.42 -26.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -41.21 -29.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -81.7 -45.79 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 11' ' ' SER . 7.3 tptm -39.36 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.1 t 153.27 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.03 -34.59 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.603 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . 171.21 170.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.668 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pt -78.51 159.64 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 34.6 m -106.97 116.45 31.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.629 ' CD2' HD11 ' A' ' 14' ' ' ILE . 2.3 p80 -142.32 120.94 7.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.617 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.0 64.29 6.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.617 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 169.26 172.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -41.1 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.26 113.92 53.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 171.71 17.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' C ' ' H ' ' A' ' 24' ' ' TYR . 1.9 mmp_? 56.13 171.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.79 21.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.752 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.59 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -152.19 116.04 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.761 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -109.28 152.25 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 2.0 pp -167.49 19.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' C ' ' CB ' ' A' ' 37' ' ' CYS . . . -147.67 -170.54 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 33' ' ' PRO . 17.0 m -132.05 -160.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.554 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 4.1 t -106.3 -68.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 108.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.666 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.41 -121.76 1.45 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.839 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -71.79 -29.17 1.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.839 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 151.72 39.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.76 37.65 1.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.554 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.63 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 25.9 mmmt -119.12 113.47 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 3.0 t -96.26 103.53 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 1.9 t -119.88 134.83 55.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.613 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -129.29 176.61 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.747 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.669 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.96 -82.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.512 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -78.14 -61.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.443 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -37.39 -31.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 22.6 t -63.51 -58.59 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -61.14 -25.42 66.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' O ' ' CB ' ' A' ' 11' ' ' SER . 26.7 tptt -50.99 -20.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.96 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -58.64 -28.69 63.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB3' ' CA ' ' A' ' 39' ' ' LYS . . . 178.01 -176.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -96.35 158.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' LEU . 13.9 m -106.13 119.19 38.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.668 ' CE1' ' HB2' ' A' ' 38' ' ' CYS . 2.3 p80 -145.47 107.98 4.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.555 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 80.66 2.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.86 -102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p90 -116.62 -174.08 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -117.81 85.85 23.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER 65.37 168.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 110.242 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -69.57 10.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.711 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.22 164.74 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.4 tttt -156.55 162.45 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.696 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 17.5 tp60 164.92 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.89 50.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.635 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -123.3 118.14 3.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 28' ' ' GLY . 1.3 m -45.22 178.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.531 ' CB ' ' HB ' ' A' ' 35' ' ' THR . 10.5 t -131.84 -40.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.535 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -143.78 -145.66 4.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.881 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -85.02 -26.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.04 49.2 2.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 25.56 44.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.531 ' HB ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -52.68 173.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.374 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 5.4 mmmm -133.97 107.35 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.635 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 4.4 t -98.32 131.59 44.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.6 t -119.06 131.75 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -119.03 -179.16 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.634 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.64 142.47 98.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.731 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 t -83.24 -72.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.731 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -39.42 -28.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -40.79 -32.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.99 -49.07 14.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.8 tptt -44.52 -26.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 157.18 71.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -143.91 -46.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.546 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . 172.13 174.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.661 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pt -79.53 161.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 12.1 m -108.25 118.08 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.642 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 4.1 p80 -149.02 139.49 13.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.535 ' C ' ' CG1' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.03 149.45 36.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.535 ' CG1' ' C ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 76.23 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 5.5 p90 -50.5 -173.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -105.05 118.31 56.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.1 mmp_? 60.02 166.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -77.36 20.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.783 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -59.49 -155.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 8.6 ttmt -151.71 108.21 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.852 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -99.8 155.27 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 1.6 pp -171.81 21.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.45 -170.15 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' THR . 5.9 m -137.71 -162.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.626 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 1.6 t -133.99 -73.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.734 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -117.9 -145.7 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.975 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.39 -14.98 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.975 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 53.39 3.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 30.67 40.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.626 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -52.8 165.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 1.2 mmmm -131.93 115.21 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.7 t -100.47 116.84 33.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 1.4 t -116.31 140.39 49.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.539 ' CB ' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -125.86 161.39 27.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 6.1 pttt -64.97 133.59 95.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.04 -32.72 5.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 t -93.06 -59.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.537 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -50.27 -34.76 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 10.0 t -52.2 -33.19 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.348 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.483 ' CD2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -69.3 -38.85 78.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -56.59 -26.82 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -81.49 2.69 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.85 8.19 60.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.631 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . -66.46 155.77 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.647 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -111.35 161.18 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 15.1 m -107.79 118.21 36.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.647 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 2.7 p80 -146.47 105.63 4.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 78.22 2.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 175.59 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 m-85 -125.72 -178.74 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -110.98 98.65 39.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 65.69 170.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 12.7 mtm105 -77.8 21.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.725 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -68.09 -164.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -150.83 119.17 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.711 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -113.54 156.39 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.464 ' CG1' ' HE3' ' A' ' 39' ' ' LYS . 1.1 pt -169.8 17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 -163.14 9.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.448 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -136.0 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 8.9 t -84.71 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.565 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -146.52 -112.23 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.828 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.17 -31.83 1.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.828 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.05 154.86 42.57 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.03 30.82 1.56 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.544 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -50.88 171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.434 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -112.19 117.89 33.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 2.5 t -97.98 108.12 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -115.42 134.39 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 108.356 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -129.13 178.55 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 62.6 tttt -65.66 136.14 95.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.708 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -22.91 14.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 t -94.44 -61.08 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.533 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -56.16 -28.98 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -45.34 -27.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -83.94 -40.39 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.9 tptt -80.21 1.75 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -128.09 -46.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -102.87 -83.4 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.645 ' HB1' ' CB ' ' A' ' 39' ' ' LYS . . . 176.16 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.704 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 4.7 pt -108.61 160.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -115.15 114.78 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.704 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 4.8 p80 -145.09 133.22 10.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.552 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.05 152.38 40.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 76.6 -167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 4.2 p90 -46.53 177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.22 112.52 57.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.98 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.9 mmp_? 67.12 169.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -68.77 10.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.716 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -72.15 163.93 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.6 mttp -153.91 156.73 38.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.837 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 1.2 tp-100 171.19 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.2 mt 87.27 55.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.651 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -134.31 118.77 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.2 m -42.71 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.512 ' N ' ' HB ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -143.71 -88.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.34 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . -136.99 -70.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' CD2' HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -43.64 169.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.19 47.57 6.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.544 1.153 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.86 158.52 30.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.421 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.559 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 8.8 mmmm -137.99 97.79 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 6.2 t -89.38 133.77 34.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.837 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 1.7 t -131.05 149.17 52.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.716 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -140.96 178.17 7.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.657 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.45 136.21 94.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.735 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.642 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.02 -8.77 20.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 t -118.32 -63.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.43 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -52.06 -35.44 47.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.735 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 16.3 t -62.07 -35.64 79.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -77.68 -45.32 25.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.593 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 tptp -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.593 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.35 44.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -108.9 -37.71 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -176.53 171.72 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -76.11 166.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 24.8 m -110.21 113.39 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 24.5 m-70 -149.84 146.42 20.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 150.52 38.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 10.1 m 35.92 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 18' ' ' VAL . 42.4 m-85 -38.78 159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.2 p -122.58 139.22 30.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.03 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 66.46 164.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -76.69 20.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.779 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -69.93 -164.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 116.56 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.843 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -102.24 159.41 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER 179.93 23.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.28 -170.95 12.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.515 HG21 ' CB ' ' A' ' 35' ' ' THR . 3.3 m -122.99 -169.4 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.597 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 3.5 t -139.47 -42.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 156.74 -52.29 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.752 ' CD2' HG23 ' A' ' 35' ' ' THR . 1.7 pp -46.59 177.05 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -74.95 98.14 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.61 68.61 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.752 HG23 ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -86.08 174.45 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 110.423 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 2.6 mmmm -144.22 104.78 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 3.9 t -93.69 119.99 33.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.843 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -100.76 130.67 46.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.333 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.665 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.99 173.65 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 13.7 tttt -56.53 141.17 72.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.667 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.667 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -13.45 114.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.99 59.67 0.39 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.809 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -149.85 -176.83 0.6 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.0 t -85.46 -72.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.809 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -38.06 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -48.97 -44.86 41.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -71.87 -30.05 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -60.52 -21.66 62.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -104.76 5.08 33.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.08 17.36 67.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -59.19 148.56 31.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 1.1 pp -81.71 164.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 m -114.36 113.54 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 27.6 m-70 -148.33 124.24 5.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -74.96 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 67.08 -76.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' A' ' 20' ' ' CYS . 4.4 p90 -144.36 -161.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 15.3 p -147.74 121.74 4.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.268 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 78.54 168.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.18 12.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.733 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.45 164.09 23.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 13.2 ttmt -173.22 155.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.512 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 42.5 tt0 -168.5 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.33 41.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.87 -154.19 21.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.558 ' CG2' ' O ' ' A' ' 33' ' ' PRO . 7.3 m -138.61 -170.17 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 3.6 t -120.13 -56.25 2.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.691 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.66 -127.1 1.88 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.857 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -73.55 -27.15 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -75.02 153.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.86 37.11 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.482 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -49.94 161.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.409 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.1 mmmm -112.46 103.73 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 1.8 t -84.45 136.9 33.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.733 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.1 t -121.39 139.77 53.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.592 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -140.42 176.39 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -66.94 112.81 10.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.704 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.704 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER 2.98 103.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 129.87 56.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.66 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -143.02 -173.22 0.35 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.66 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.94 -57.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.424 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.5 t -77.27 -60.7 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.524 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -45.38 -29.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -50.76 -44.65 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.317 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -69.49 -35.67 75.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -59.55 -22.19 61.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 1.4 m -102.61 7.39 39.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.69 12.55 64.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -64.06 121.57 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.631 HD13 ' CD2' ' A' ' 16' ' ' HIS . 1.0 OUTLIER -67.39 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.69 117.44 34.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.631 ' CD2' HD13 ' A' ' 14' ' ' ILE . 2.8 p80 -145.65 108.94 4.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.602 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 83.51 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.602 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.77 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 9.5 p90 -128.09 -175.14 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -112.56 94.36 27.43 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.01 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.02 172.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -73.76 15.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.693 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -73.54 164.65 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 9.4 tttm -159.69 163.61 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.68 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 15.4 tp60 166.99 -68.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.66 46.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 37' ' ' CYS . . . -101.6 177.86 27.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -113.31 -174.63 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.564 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 1.8 t -156.23 84.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.77 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.765 ' O ' ' OG1' ' A' ' 35' ' ' THR . 0.9 OUTLIER -61.38 147.47 87.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.56 42.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.06 85.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.765 ' OG1' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.26 150.46 33.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.728 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -118.59 101.88 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -100.44 127.9 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.254 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -129.38 138.62 51.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.689 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -130.96 -175.08 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.639 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.4 ttpt -45.46 140.63 4.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.647 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -17.1 112.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.72 65.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -138.56 -173.99 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.02 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.567 1.825 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.9 t -74.24 -59.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -47.38 -25.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.444 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -45.22 -27.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.334 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -78.68 -44.23 24.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.6 tptt -41.25 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.1 m 152.77 44.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . -111.3 -33.24 2.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . 161.64 167.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.1 pt -76.93 160.17 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 34.4 m -105.64 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.657 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 4.7 p80 -149.72 136.15 10.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.585 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 147.68 34.42 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.585 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 77.29 178.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' A' ' 18' ' ' VAL . 18.4 p90 -42.34 169.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -90.73 120.1 68.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.312 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.94 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 59.22 166.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 20.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.874 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.8 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -151.11 110.0 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.8 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -105.56 154.64 20.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -173.5 23.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.14 -176.35 18.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.539 HG21 ' CB ' ' A' ' 35' ' ' THR . 3.8 m -128.12 -162.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.577 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 3.6 t -140.51 -99.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -136.18 -54.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.666 ' CD2' HG22 ' A' ' 35' ' ' THR . 1.1 pp -43.76 170.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.93 63.24 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.666 HG22 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.17 162.7 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -123.99 105.39 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 6.0 t -98.97 112.74 24.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.874 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.3 t -114.63 140.09 49.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 108.243 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.646 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 2.9 ptpt -124.5 179.39 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.3 137.75 96.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.697 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.697 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -8.0 109.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.92 -67.74 0.77 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.715 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 178.01 -177.43 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.1 t -77.59 -71.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.715 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -42.04 -25.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -42.98 -39.46 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -67.87 -43.59 79.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' THR . 1.2 tptt -64.94 -17.46 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -86.52 4.05 41.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.91 8.71 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -86.77 150.17 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -97.02 161.02 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 m -106.95 118.81 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.638 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 3.4 p80 -148.73 106.03 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.0 81.46 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.561 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.55 -100.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 6.1 p90 -124.26 -176.86 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -112.71 95.41 32.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 64.31 174.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -69.84 12.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.72 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -75.01 162.85 28.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -156.53 155.71 32.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.718 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 0.2 OUTLIER 171.08 -137.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.718 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.97 34.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' N ' HE21 ' A' ' 26' ' ' GLN . . . -93.21 -168.81 39.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 33' ' ' PRO . 9.2 m -132.16 -168.32 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 4.4 t -116.46 -62.71 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.668 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -142.64 -125.46 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.842 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.04 -28.87 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.842 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 153.05 41.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.35 38.04 1.17 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -50.5 159.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.404 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 14.3 mmmt -108.05 109.61 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.562 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 1.9 t -98.38 127.37 44.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.655 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 2.0 t -121.96 154.17 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.72 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -148.73 177.35 9.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.641 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -65.26 135.86 96.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.686 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.686 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -10.26 111.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.78 63.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.796 ' HD2' ' N ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -126.87 -177.45 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -74.97 -40.51 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.796 ' N ' ' HD2' ' A' ' 4' ' ' ASP . 1.6 t -89.96 -74.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.718 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -36.24 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -41.05 -35.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -79.97 -46.04 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' SER . 4.5 tptt -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 153.34 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.463 ' HA2' ' CG2' ' A' ' 2' ' ' ILE . . . -105.11 -41.36 1.95 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . 169.59 170.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -70.17 165.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 35.9 m -108.59 113.39 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 21.5 m-70 -149.59 146.83 21.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.04 148.92 35.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 5.9 m 36.94 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' A' ' 18' ' ' VAL . 30.0 m-85 -39.97 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 p -123.64 138.7 30.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 108.302 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' O ' ' CZ ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.93 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 68.12 166.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -77.07 20.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.75 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.31 -165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 16.2 tptt -152.16 119.05 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.9 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -101.65 152.61 20.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -170.94 21.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 -165.9 10.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.515 HG23 ' CB ' ' A' ' 35' ' ' THR . 4.1 m -131.46 -166.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.345 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.59 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 3.9 t -140.17 -96.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -137.83 -53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' CD2' HG23 ' A' ' 35' ' ' THR . 1.1 pp -46.1 171.22 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' N ' HD11 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.01 104.38 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 62.94 2.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.663 HG23 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.87 175.66 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.366 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.529 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -140.11 104.84 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 2.9 t -93.2 121.34 34.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.9 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -103.73 131.46 50.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.686 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.92 174.55 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.591 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.2 ptpt -64.96 138.91 97.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.544 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.5 102.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.53 69.25 0.84 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.83 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -108.67 -173.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.659 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.98 -89.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.2 t -64.9 -58.16 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.442 ' CG2' ' CG ' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -40.79 -31.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.83 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -55.61 -45.76 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 6' ' ' VAL . 0.4 OUTLIER -67.51 -32.2 72.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -55.34 -20.04 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.44 ' CB ' ' HE2' ' A' ' 39' ' ' LYS . 71.8 m -110.5 17.36 20.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 10.07 84.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.616 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . . . -78.74 135.75 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.63 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -94.02 156.24 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.3 m -106.69 118.17 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.688 ' CE1' ' HB2' ' A' ' 38' ' ' CYS . 1.7 p80 -142.63 107.37 5.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.575 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.3 Cg_endo -75.03 77.81 3.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.575 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.79 -102.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.632 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 64.1 m-85 -113.44 -174.77 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -116.49 85.67 16.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.5 mmp_? 75.0 166.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -68.56 8.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.711 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -77.45 163.2 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -155.95 152.52 28.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.573 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 46.3 tp60 177.76 -76.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.05 55.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -133.19 129.97 5.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.491 ' O ' ' O ' ' A' ' 28' ' ' GLY . 3.0 m -48.93 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.52 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 47.2 t -145.27 -105.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.63 -83.63 1.63 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' O ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER -47.43 165.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.08 39.29 16.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.596 ' OG1' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.9 153.83 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.426 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -128.26 104.32 7.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 7.2 t -99.71 134.12 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 108.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -118.1 150.56 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 108.262 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.637 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -129.81 -174.54 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 9.1 pttm -67.09 147.12 99.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.557 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -28.29 106.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.16 58.53 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.69 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -138.35 -177.24 0.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.03 -54.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.0 t -75.5 -71.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.69 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.24 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.627 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -42.55 -31.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 108.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -74.47 -45.84 43.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' THR . 9.4 tptm -58.12 -16.63 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 6.4 m -93.94 -12.45 28.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.5 57.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.599 ' CB ' ' CG ' ' A' ' 39' ' ' LYS . . . -64.23 152.82 39.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.622 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -101.48 156.44 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.4 m -106.23 119.63 39.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.678 ' CE1' ' HB2' ' A' ' 38' ' ' CYS . 1.2 p80 -142.19 107.53 5.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.97 70.72 5.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 174.83 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 2.2 p90 -122.18 -172.43 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 90.99 26.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.368 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.23 16.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 74.82 173.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -71.3 13.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.685 ' CE1' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -79.77 163.15 24.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -157.95 155.15 28.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.363 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.719 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 5.5 tp-100 176.59 -133.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.719 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.48 43.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.427 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -109.07 -168.07 20.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 35' ' ' THR . 6.6 m -135.28 -166.23 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.504 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 6.1 t -144.44 -62.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -115.56 -148.35 9.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.928 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.57 -20.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.928 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.52 45.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.504 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.76 157.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.357 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -112.23 115.07 28.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.531 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 1.6 t -103.11 127.58 50.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.265 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.678 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 2.7 t -122.92 153.19 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.665 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 5.5 mtpt -139.73 -174.64 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.685 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 2.4 pttt -67.26 142.05 96.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.441 1.759 . . . . 0.0 110.978 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -38.23 158.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.81 69.71 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -147.59 -178.89 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.01 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.1 t -78.29 -71.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.723 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -40.38 -25.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -44.5 -30.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -72.1 -40.31 68.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 7' ' ' THR . 3.2 tptm -56.35 -19.46 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.67 6.86 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.17 5.38 71.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -62.7 144.21 56.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 38' ' ' CYS . 1.1 pp -93.54 162.68 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 27.1 m -113.01 114.02 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 24.7 m-70 -146.8 143.35 18.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.09 146.77 32.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 39.59 -159.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 26.0 m-85 -33.86 140.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 p -107.01 141.07 22.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 -176.55 2.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER 66.53 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -78.82 22.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -65.85 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -154.57 103.77 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.794 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -77.88 148.74 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -167.73 21.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.95 -168.15 12.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.573 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 8.1 m -129.09 -166.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER 172.6 57.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.752 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . 146.95 152.33 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.844 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.09 -30.6 5.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.01 52.42 3.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 33.84 61.65 0.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.622 ' OG1' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -63.63 164.24 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.376 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 4.0 mmmt -118.98 108.51 14.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.9 t -92.98 120.6 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.794 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -95.77 128.61 42.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.617 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.2 168.23 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 12.8 tttt -65.7 137.2 96.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.489 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -33.21 106.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.73 64.44 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.706 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -134.56 -177.98 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.05 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.682 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.0 t -79.54 -74.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.706 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -38.5 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.37 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.552 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -40.56 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.682 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -82.98 -45.49 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 11' ' ' SER . 29.9 tptt -40.23 -29.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.66 45.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . -110.41 -36.47 1.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . 168.93 167.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -66.8 162.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.3 m -112.47 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.327 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 12.0 m-70 -141.9 106.25 5.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.03 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.55 ' HB ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER 173.65 -96.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD1' ' HB ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -121.26 -149.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.4 102.55 4.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.31 8.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 64.56 170.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -77.2 21.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.71 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.43 -165.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -152.15 117.47 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.809 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -105.17 153.38 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -169.89 21.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.87 -171.28 12.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 7.4 m -127.89 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.549 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 3.9 t -137.53 -58.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -125.09 -146.86 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.911 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -88.53 -21.34 0.26 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.911 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.0 52.76 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 28.01 44.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.52 158.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 5.2 mmmt -116.17 110.0 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.2 t -94.9 116.28 28.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.809 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 1.2 t -108.23 134.76 50.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.632 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -118.27 175.65 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.22 138.36 97.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.51 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -32.26 107.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.12 65.58 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.633 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -113.26 -174.91 0.29 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.02 -65.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.61 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 t -73.63 -63.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.51 ' CG2' ' CG ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -43.15 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -44.79 -27.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -80.89 -47.62 13.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.604 ' O ' ' CB ' ' A' ' 11' ' ' SER . 10.3 tptt -38.63 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.9 p 150.87 42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 8' ' ' CYS . . . -104.41 -40.12 2.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.583 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . 169.74 161.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.64 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -65.31 160.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 35.9 m -108.36 113.68 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 8.6 m-70 -140.92 107.44 6.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.572 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.98 75.74 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.572 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.95 -90.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.09 -159.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -134.03 99.15 13.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.8 mmp_? 73.54 169.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 19.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.77 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.58 -164.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -152.33 115.69 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.828 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -102.31 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 176.2 24.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.81 -178.44 17.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.507 ' CG2' ' OG1' ' A' ' 35' ' ' THR . 3.8 m -118.91 -167.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 6.9 t -139.8 -107.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.7 -73.15 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -47.34 161.31 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 124.78 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.38 44.7 7.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.544 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -82.79 154.11 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.396 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -118.76 105.27 11.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.4 t -99.89 114.49 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -103.19 136.9 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.682 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.13 169.85 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.591 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -63.57 138.41 97.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.663 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.663 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -13.76 115.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.52 63.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.665 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -132.19 -173.54 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.665 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.03 -35.85 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.7 t -92.97 -64.96 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.79 -29.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -43.71 -38.21 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' CD2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.63 -46.5 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 11' ' ' SER . 28.2 tptt -39.32 -30.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.03 44.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.03 -40.1 1.74 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -173.04 159.79 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pp -69.32 162.45 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 6.0 m -100.58 115.32 29.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.468 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 34.0 m-70 -159.04 126.66 2.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.544 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.5 Cg_endo -74.95 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 5.8 m 51.79 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 18' ' ' VAL . 92.7 m-85 -48.86 -178.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -115.92 121.87 33.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.0 mmp_? 61.55 174.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 17.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.645 ' CE1' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -81.49 163.39 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.7 ttpp -159.95 161.84 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.723 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 5.1 tp60 -179.77 -129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.723 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 163.25 53.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -125.04 -167.93 12.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.545 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 7.6 m -131.4 -164.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.557 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 8.0 t -142.99 -67.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.649 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -116.32 -146.98 8.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.95 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -89.53 -20.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.95 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 53.22 3.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.48 42.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.557 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -53.35 170.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.761 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -124.25 131.01 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.678 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -110.09 119.66 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 108.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.635 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 1.5 t -107.0 163.86 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.617 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 10.8 tptp -159.44 174.97 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.645 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.8 134.23 95.16 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.548 1.814 . . . . 0.0 110.996 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.639 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -19.25 111.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.435 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 114.53 66.4 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.68 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -143.41 -172.97 0.34 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.677 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.9 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' C ' ' N ' ' A' ' 8' ' ' CYS . 2.0 t -77.97 -60.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.581 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -44.72 -23.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.414 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.68 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -60.93 -55.13 36.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.298 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.29 -11.18 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.678 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.4 tptp -35.61 -39.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 5.1 t 142.9 76.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 -25.17 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -112.77 120.77 42.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -79.23 163.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 55.1 m -108.02 113.32 26.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 18.2 m-70 -147.39 143.84 18.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.06 148.18 34.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 19' ' ' PHE . 6.4 m 39.74 -156.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' N ' HG22 ' A' ' 18' ' ' VAL . 40.2 m-85 -35.44 154.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.59 138.74 22.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.04 175.55 11.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.624 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 70.35 165.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -76.7 20.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.708 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -69.81 -163.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 24.1 tttm -150.56 118.55 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.849 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -105.16 152.12 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -171.49 24.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.44 -168.22 11.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -129.82 -168.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.435 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.546 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 4.8 t -139.59 -95.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -135.91 -54.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' CD2' HG23 ' A' ' 35' ' ' THR . 1.2 pp -46.36 170.23 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.92 104.7 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.59 61.86 2.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.608 HG23 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.33 169.99 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.415 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.89 100.68 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.517 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 1.1 t -91.8 123.13 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.249 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.849 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -107.91 142.5 37.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -139.16 -179.15 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.3 pttt -56.01 137.11 73.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.594 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -24.21 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.32 -4.87 4.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -137.72 179.45 1.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.58 ' HD2' ' CG ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -54.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 8' ' ' CYS . 1.8 t -78.36 -70.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.721 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -38.67 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.697 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -48.5 -41.61 30.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.229 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -69.16 -27.64 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' THR . 7.1 tptt -53.05 -21.4 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 11' ' ' SER . 1.9 t -113.81 18.12 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.65 8.0 83.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -84.35 125.83 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.635 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 2.2 pt -90.11 163.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 5' ' ' PRO . 3.8 m -113.36 115.54 28.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.654 ' CE1' ' HD2' ' A' ' 21' ' ' PRO . 3.5 p80 -144.04 140.55 17.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' C ' ' CG2' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 161.86 38.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 64.86 -170.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' VAL . 36.0 p90 -45.89 174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 114.5 64.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.4 Cg_endo -74.98 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.22 160.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TYR . 3.2 mtp-105 -81.54 26.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.673 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.76 -149.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -152.38 175.3 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.619 ' HB3' ' O ' ' A' ' 25' ' ' LYS . 45.5 tp60 92.25 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.57 43.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.644 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -107.33 140.46 15.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.3 m -40.69 178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.661 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 40.4 m -115.34 -57.84 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -134.36 -132.29 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.854 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -74.7 -28.62 0.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.854 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 163.62 34.86 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.58 35.07 1.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.661 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.24 172.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -139.33 96.58 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 38.3 t -91.15 128.47 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.673 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -124.15 136.65 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.553 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -118.43 172.42 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.589 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.89 141.04 97.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.608 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -23.07 127.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.241 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.405 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 146.91 72.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.639 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -136.64 -174.5 0.41 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -15.4 20.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.7 t -110.33 -64.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.406 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -48.55 -33.0 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 1.7 t -51.99 -38.33 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.77 -37.04 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -57.25 -31.14 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -87.6 -11.19 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.16 31.65 66.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -104.47 143.57 32.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.673 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -77.82 165.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -106.74 116.78 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 108.311 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.673 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 7.1 p80 -154.38 134.21 7.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.513 ' C ' ' CG1' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.02 156.92 42.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.513 ' CG1' ' C ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 73.84 -169.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 53.7 m-85 -49.02 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -108.48 119.51 49.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.97 170.17 21.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 62.06 166.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -77.53 21.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.788 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -61.27 -154.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 5.2 tttt -153.28 109.94 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.77 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -103.51 160.53 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -179.18 19.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.36 -167.07 11.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -140.89 -163.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 29' ' ' THR . 1.8 t -126.89 -45.0 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 147.62 -30.67 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.741 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -51.57 -165.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.741 ' CD ' ' CB ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 73.87 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.56 66.79 1.83 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.542 ' CG2' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.08 170.34 16.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.419 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.65 111.04 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.636 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.2 t -98.13 120.7 39.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.788 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.7 t -117.82 137.43 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -124.66 -179.37 4.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.615 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 20.1 tttt -65.66 135.89 95.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -34.43 137.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.3 58.61 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.724 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -144.15 179.76 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.5 Cg_endo -74.98 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.55 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.7 t -77.9 -71.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.724 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.42 -26.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -41.21 -29.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -81.7 -45.79 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 11' ' ' SER . 7.3 tptm -39.36 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.1 t 153.27 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.03 -34.59 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.603 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . 171.21 170.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.668 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pt -78.51 159.64 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 34.6 m -106.97 116.45 31.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.629 ' CD2' HD11 ' A' ' 14' ' ' ILE . 2.3 p80 -142.32 120.94 7.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.617 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.0 64.29 6.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.617 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 169.26 172.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -41.1 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.26 113.92 53.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 171.71 17.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' C ' ' H ' ' A' ' 24' ' ' TYR . 1.9 mmp_? 56.13 171.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.79 21.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.752 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.59 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -152.19 116.04 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.761 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -109.28 152.25 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 2.0 pp -167.49 19.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' C ' ' CB ' ' A' ' 37' ' ' CYS . . . -147.67 -170.54 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 33' ' ' PRO . 17.0 m -132.05 -160.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.554 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 4.1 t -106.3 -68.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 108.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.666 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.41 -121.76 1.45 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.839 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -71.79 -29.17 1.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.839 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 151.72 39.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.76 37.65 1.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.554 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.63 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 25.9 mmmt -119.12 113.47 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 3.0 t -96.26 103.53 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 1.9 t -119.88 134.83 55.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.613 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -129.29 176.61 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -23.5 104.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.45 57.4 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.747 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -103.59 -172.97 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.669 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.96 -82.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -78.14 -61.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.443 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -37.39 -31.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 22.6 t -63.51 -58.59 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -61.14 -25.42 66.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' O ' ' CB ' ' A' ' 11' ' ' SER . 26.7 tptt -50.99 -20.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.96 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -58.64 -28.69 63.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB3' ' CA ' ' A' ' 39' ' ' LYS . . . 178.01 -176.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -96.35 158.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' LEU . 13.9 m -106.13 119.19 38.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.668 ' CE1' ' HB2' ' A' ' 38' ' ' CYS . 2.3 p80 -145.47 107.98 4.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.555 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 80.66 2.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.86 -102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p90 -116.62 -174.08 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -117.81 85.85 23.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER 65.37 168.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 110.242 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -69.57 10.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.711 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.22 164.74 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.4 tttt -156.55 162.45 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.696 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 17.5 tp60 164.92 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.89 50.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.635 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -123.3 118.14 3.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 28' ' ' GLY . 1.3 m -45.22 178.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.531 ' CB ' ' HB ' ' A' ' 35' ' ' THR . 10.5 t -131.84 -40.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.535 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -143.78 -145.66 4.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.881 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -85.02 -26.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.04 49.2 2.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 25.56 44.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.531 ' HB ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -52.68 173.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.374 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 5.4 mmmm -133.97 107.35 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.635 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 4.4 t -98.32 131.59 44.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.6 t -119.06 131.75 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.634 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -119.03 -179.16 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.634 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.64 142.47 98.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.53 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.53 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -29.09 114.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.8 -71.34 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.731 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -174.3 -177.74 0.34 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 t -83.24 -72.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.731 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -39.42 -28.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -40.79 -32.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.99 -49.07 14.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.8 tptt -44.52 -26.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 157.18 71.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -143.91 -46.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.546 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . 172.13 174.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.661 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pt -79.53 161.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 12.1 m -108.25 118.08 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.642 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 4.1 p80 -149.02 139.49 13.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.535 ' C ' ' CG1' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.03 149.45 36.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.535 ' CG1' ' C ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 76.23 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 5.5 p90 -50.5 -173.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -105.05 118.31 56.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.1 mmp_? 60.02 166.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -77.36 20.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.783 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -59.49 -155.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 8.6 ttmt -151.71 108.21 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.852 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -99.8 155.27 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 1.6 pp -171.81 21.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.45 -170.15 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' THR . 5.9 m -137.71 -162.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.626 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 1.6 t -133.99 -73.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.734 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -117.9 -145.7 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.975 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.39 -14.98 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.975 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 53.39 3.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 30.67 40.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.626 ' CG2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -52.8 165.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 1.2 mmmm -131.93 115.21 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.7 t -100.47 116.84 33.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 1.4 t -116.31 140.39 49.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' CB ' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -125.86 161.39 27.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 6.1 pttt -64.97 133.59 95.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.625 ' O ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 47.06 170.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.524 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . -118.33 -72.65 0.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -160.67 -172.97 0.35 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.04 -32.72 5.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 t -93.06 -59.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.537 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -50.27 -34.76 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 10.0 t -52.2 -33.19 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.348 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' CD2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -69.3 -38.85 78.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -56.59 -26.82 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -81.49 2.69 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.85 8.19 60.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.631 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . -66.46 155.77 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.647 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -111.35 161.18 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 15.1 m -107.79 118.21 36.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.647 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 2.7 p80 -146.47 105.63 4.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 78.22 2.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 175.59 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 m-85 -125.72 -178.74 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -110.98 98.65 39.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 65.69 170.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 12.7 mtm105 -77.8 21.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.725 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -68.09 -164.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -150.83 119.17 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.711 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -113.54 156.39 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.501 ' CG1' HG13 ' A' ' 2' ' ' ILE . 1.1 pt -169.8 17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 -163.14 9.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.448 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -136.0 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 8.9 t -84.71 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.565 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -146.52 -112.23 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.828 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.17 -31.83 1.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.828 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.05 154.86 42.57 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.03 30.82 1.56 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.544 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -50.88 171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.434 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -112.19 117.89 33.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 2.5 t -97.98 108.12 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -115.42 134.39 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 108.356 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -129.13 178.55 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 62.6 tttt -65.66 136.14 95.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.706 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.706 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.4 mt -7.5 101.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.493 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . -125.67 -72.38 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.708 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -160.01 -171.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -22.91 14.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 t -94.44 -61.08 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.533 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -56.16 -28.98 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -45.34 -27.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -83.94 -40.39 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.9 tptt -80.21 1.75 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -128.09 -46.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -102.87 -83.4 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.645 ' HB1' ' CB ' ' A' ' 39' ' ' LYS . . . 176.16 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.704 ' CD1' ' CD2' ' A' ' 16' ' ' HIS . 4.7 pt -108.61 160.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -115.15 114.78 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.704 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 4.8 p80 -145.09 133.22 10.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.552 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.05 152.38 40.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 76.6 -167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 4.2 p90 -46.53 177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.22 112.52 57.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.98 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.9 mmp_? 67.12 169.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -68.77 10.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.716 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -72.15 163.93 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.6 mttp -153.91 156.73 38.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.837 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 1.2 tp-100 171.19 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' CD1' ' O ' ' A' ' 26' ' ' GLN . 1.2 mt 87.27 55.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.651 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -134.31 118.77 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.2 m -42.71 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.512 ' N ' ' HB ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -143.71 -88.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.34 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . -136.99 -70.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' CD2' HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -43.64 169.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.19 47.57 6.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.544 1.153 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.86 158.52 30.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.421 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.559 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 8.8 mmmm -137.99 97.79 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 6.2 t -89.38 133.77 34.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.837 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 1.7 t -131.05 149.17 52.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.716 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -140.96 178.17 7.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.657 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.45 136.21 94.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -23.3 128.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.403 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 143.71 74.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.735 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -136.34 -174.39 0.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.642 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.02 -8.77 20.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 t -118.32 -63.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.43 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -52.06 -35.44 47.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.735 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 16.3 t -62.07 -35.64 79.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -77.68 -45.32 25.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.593 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 tptp -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.593 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.35 44.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -108.9 -37.71 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -176.53 171.72 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -76.11 166.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 24.8 m -110.21 113.39 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 24.5 m-70 -149.84 146.42 20.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 150.52 38.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 10.1 m 35.92 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 18' ' ' VAL . 42.4 m-85 -38.78 159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.2 p -122.58 139.22 30.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 108.275 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.03 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 66.46 164.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -76.69 20.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.779 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -69.93 -164.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 116.56 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.843 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -102.24 159.41 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER 179.93 23.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.28 -170.95 12.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.515 HG21 ' CB ' ' A' ' 35' ' ' THR . 3.3 m -122.99 -169.4 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.597 ' HB3' ' CG2' ' A' ' 35' ' ' THR . 3.5 t -139.47 -42.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 156.74 -52.29 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.752 ' CD2' HG23 ' A' ' 35' ' ' THR . 1.7 pp -46.59 177.05 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -74.95 98.14 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.61 68.61 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.752 HG23 ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -86.08 174.45 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 110.423 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 2.6 mmmm -144.22 104.78 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 13' ' ' ALA . 3.9 t -93.69 119.99 33.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.843 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -100.76 130.67 46.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.333 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.665 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.99 173.65 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 13.7 tttt -56.53 141.17 72.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.809 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 7' ' ' THR . 2.0 t -85.46 -72.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.809 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -38.06 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -48.97 -44.86 41.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.473 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -71.87 -30.05 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -60.52 -21.66 62.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -104.76 5.08 33.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.08 17.36 67.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -59.19 148.56 31.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 1.1 pp -81.71 164.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 m -114.36 113.54 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 20.9 m80 -148.33 124.24 5.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.72 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -74.96 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.72 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 67.08 -76.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' A' ' 20' ' ' CYS . 4.4 p90 -144.36 -161.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 15.3 p -147.74 121.74 4.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.268 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 78.54 168.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.18 12.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.735 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.45 164.09 23.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 13.2 ttmt -173.22 155.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.839 ' O ' HD12 ' A' ' 27' ' ' ILE . 42.5 tt0 -168.5 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.33 41.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.87 -154.19 21.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.3 m -138.61 -170.17 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.738 ' H ' HG22 ' A' ' 29' ' ' THR . 3.6 t -120.13 -56.25 2.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.691 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.66 -127.1 1.88 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.857 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -73.55 -27.15 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -75.02 153.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.86 37.11 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -49.94 161.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.409 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.1 mmmm -112.46 103.73 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 1.8 t -84.45 136.9 33.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.735 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.1 t -121.39 139.77 53.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -140.42 176.39 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -66.94 112.81 10.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.66 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.66 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.94 -57.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 7' ' ' THR . 1.5 t -77.27 -60.7 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.524 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -45.38 -29.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -50.76 -44.65 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.317 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -69.49 -35.67 75.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -59.55 -22.19 61.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.413 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 1.4 m -102.61 7.39 39.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.69 12.55 64.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -64.06 121.57 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.955 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.0 OUTLIER -67.39 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.69 117.44 34.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.955 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.8 p80 -145.65 108.94 4.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.932 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 83.51 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.77 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 9.5 p90 -128.09 -175.14 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -112.56 94.36 27.43 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.01 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.02 172.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -73.76 15.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.694 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -73.54 164.65 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 9.4 tttm -159.69 163.61 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 15.4 tp60 166.99 -68.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.66 46.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 37' ' ' CYS . . . -101.6 177.86 27.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 30' ' ' CYS . 1.3 m -113.31 -174.63 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.409 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.883 ' HB3' HG21 ' A' ' 35' ' ' THR . 1.8 t -156.23 84.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.77 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -61.38 147.47 87.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.777 ' O ' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 156.56 42.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.06 85.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.883 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.26 150.46 33.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.728 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -118.59 101.88 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -100.44 127.9 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.254 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -129.38 138.62 51.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.675 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -130.96 -175.08 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.4 ttpt -45.46 140.63 4.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.02 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.567 1.825 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.9 t -74.24 -59.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -47.38 -25.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.444 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -45.22 -27.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.334 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -78.68 -44.23 24.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.6 tptt -41.25 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.1 m 152.77 44.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.708 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -111.3 -33.24 2.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.962 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 161.64 167.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.952 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.1 pt -76.93 160.17 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' SG ' HD21 ' A' ' 9' ' ' LEU . 34.4 m -105.64 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.952 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.7 p80 -149.72 136.15 10.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.911 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 147.68 34.42 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 77.29 178.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' N ' HG23 ' A' ' 18' ' ' VAL . 18.4 p90 -42.34 169.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -90.73 120.1 68.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.312 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.94 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 59.22 166.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 20.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.874 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.8 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -151.11 110.0 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.908 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.56 154.64 20.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -173.5 23.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.14 -176.35 18.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.732 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.8 m -128.12 -162.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.044 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.6 t -140.51 -99.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . -136.18 -54.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.021 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.1 pp -43.76 170.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.609 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.93 63.24 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.044 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.17 162.7 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -123.99 105.39 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.962 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 6.0 t -98.97 112.74 24.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.937 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.3 t -114.63 140.09 49.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 108.243 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.646 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 2.9 ptpt -124.5 179.39 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.3 137.75 96.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.715 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -77.59 -71.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.715 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -42.04 -25.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -42.98 -39.46 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.522 HD21 ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -67.87 -43.59 79.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' THR . 1.2 tptt -64.94 -17.46 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -86.52 4.05 41.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.91 8.71 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' CYS . . . -86.77 150.17 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.92 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -97.02 161.02 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' HD21 ' A' ' 9' ' ' LEU . 5.7 m -106.95 118.81 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.92 ' CD2' HD12 ' A' ' 14' ' ' ILE . 3.4 p80 -148.73 106.03 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.887 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.0 81.46 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.55 -100.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 6.1 p90 -124.26 -176.86 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -112.71 95.41 32.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.55 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 64.31 174.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -69.84 12.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -75.01 162.85 28.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -156.53 155.71 32.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.973 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER 171.08 -137.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.973 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.97 34.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.21 -168.81 39.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.782 HG22 ' H ' ' A' ' 30' ' ' CYS . 9.2 m -132.16 -168.32 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.782 ' H ' HG22 ' A' ' 29' ' ' THR . 4.4 t -116.46 -62.71 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.668 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -142.64 -125.46 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.842 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.04 -28.87 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.842 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 153.05 41.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.35 38.04 1.17 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -50.5 159.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.404 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 14.3 mmmt -108.05 109.61 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 1.9 t -98.38 127.37 44.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.638 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 2.0 t -121.96 154.17 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.697 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -148.73 177.35 9.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.641 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -65.26 135.86 96.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.718 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -74.97 -40.51 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.71 HG12 ' N ' ' A' ' 7' ' ' THR . 1.6 t -89.96 -74.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.718 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -36.24 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -41.05 -35.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.775 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -79.97 -46.04 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' SER . 4.5 tptt -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 153.34 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -105.11 -41.36 1.95 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.984 ' HB1' ' C ' ' A' ' 38' ' ' CYS . . . 169.59 170.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -70.17 165.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.775 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.9 m -108.59 113.39 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 18.8 m80 -149.59 146.83 21.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.04 148.92 35.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 19' ' ' PHE . 5.9 m 36.94 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' N ' HG23 ' A' ' 18' ' ' VAL . 30.0 m-85 -39.97 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.3 p -123.64 138.7 30.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' O ' ' CZ ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.93 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 68.12 166.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -77.07 20.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.31 -165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 16.2 tptt -152.16 119.05 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.88 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -101.65 152.61 20.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -170.94 21.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 -165.9 10.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 30' ' ' CYS . 4.1 m -131.46 -166.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.345 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.064 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.9 t -140.17 -96.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.507 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -137.83 -53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.03 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.1 pp -46.1 171.22 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.571 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.01 104.38 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 62.94 2.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.064 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.87 175.66 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.366 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -140.11 104.84 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.935 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 2.9 t -93.2 121.34 34.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.984 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -103.73 131.46 50.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.686 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.92 174.55 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.2 ptpt -64.96 138.91 97.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.83 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.659 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.98 -89.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.2 t -64.9 -58.16 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.546 HG22 ' OD2' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -40.79 -31.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.836 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -55.61 -45.76 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -67.51 -32.2 72.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -55.34 -20.04 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.44 ' CB ' ' HE2' ' A' ' 39' ' ' LYS . 71.8 m -110.5 17.36 20.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 10.07 84.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 8' ' ' CYS . . . -78.74 135.75 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.991 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -94.02 156.24 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 9' ' ' LEU . 60.3 m -106.69 118.17 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.991 ' CD2' HD12 ' A' ' 14' ' ' ILE . 1.7 p80 -142.63 107.37 5.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.921 ' HB3' HD21 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.03 77.81 3.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.79 -102.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.632 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 64.1 m-85 -113.44 -174.77 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -116.49 85.67 16.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.5 mmp_? 75.0 166.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -68.56 8.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.713 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -77.45 163.2 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -155.95 152.52 28.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.852 ' O ' HD12 ' A' ' 27' ' ' ILE . 46.3 tp60 177.76 -76.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.05 55.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -133.19 129.97 5.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.61 HG22 ' H ' ' A' ' 30' ' ' CYS . 3.0 m -48.93 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.61 ' H ' HG22 ' A' ' 29' ' ' THR . 47.2 t -145.27 -105.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.63 -83.63 1.63 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.986 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.8 OUTLIER -47.43 165.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.08 39.29 16.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.986 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.9 153.83 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.426 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -128.26 104.32 7.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.815 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 7.2 t -99.71 134.12 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 108.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.713 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -118.1 150.56 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 108.262 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.785 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -129.81 -174.54 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.657 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 9.1 pttm -67.09 147.12 99.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.69 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.03 -54.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.606 HG12 ' N ' ' A' ' 7' ' ' THR . 2.0 t -75.5 -71.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.69 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.24 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -42.55 -31.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 108.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -74.47 -45.84 43.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' THR . 9.4 tptm -58.12 -16.63 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 6.4 m -93.94 -12.45 28.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.5 57.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.791 ' HB2' ' CG ' ' A' ' 39' ' ' LYS . . . -64.23 152.82 39.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.968 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -101.48 156.44 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' HD21 ' A' ' 9' ' ' LEU . 58.4 m -106.23 119.63 39.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.968 ' CD2' HD12 ' A' ' 14' ' ' ILE . 1.2 p80 -142.19 107.53 5.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.874 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.97 70.72 5.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 174.83 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 2.2 p90 -122.18 -172.43 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 90.99 26.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.368 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.23 16.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 74.82 173.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -71.3 13.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.649 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -79.77 163.15 24.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -157.95 155.15 28.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.363 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 1.031 ' O ' HG23 ' A' ' 27' ' ' ILE . 25.4 tp60 176.59 -133.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.031 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.48 43.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -109.07 -168.07 20.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.787 HG22 ' H ' ' A' ' 30' ' ' CYS . 6.6 m -135.28 -166.23 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.787 ' H ' HG22 ' A' ' 29' ' ' THR . 6.1 t -144.44 -62.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -115.56 -148.35 9.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.928 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.57 -20.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.928 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.52 45.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.775 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.76 157.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.357 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -112.23 115.07 28.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.65 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 1.6 t -103.11 127.58 50.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.265 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.678 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 2.7 t -122.92 153.19 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.791 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 5.5 mtpt -139.73 -174.64 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.646 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 2.4 pttt -67.26 142.05 96.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.441 1.759 . . . . 0.0 110.978 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.01 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.606 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -78.29 -71.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.723 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -40.38 -25.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -44.5 -30.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -72.1 -40.31 68.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 7' ' ' THR . 3.2 tptm -56.35 -19.46 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.67 6.86 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.17 5.38 71.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.69 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -62.7 144.21 56.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.585 HD11 ' CB ' ' A' ' 38' ' ' CYS . 1.1 pp -93.54 162.68 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 27.1 m -113.01 114.02 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 25.0 m80 -146.8 143.35 18.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.09 146.77 32.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.789 HG23 ' N ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 39.59 -159.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.789 ' N ' HG23 ' A' ' 18' ' ' VAL . 26.0 m-85 -33.86 140.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 p -107.01 141.07 22.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 -176.55 2.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER 66.53 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -78.82 22.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -65.85 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -154.57 103.77 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.763 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -77.88 148.74 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -167.73 21.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.95 -168.15 12.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.814 HG22 ' H ' ' A' ' 30' ' ' CYS . 8.1 m -129.09 -166.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.952 ' O ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER 172.6 57.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.752 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . 146.95 152.33 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.844 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.09 -30.6 5.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.01 52.42 3.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 33.84 61.65 0.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.952 HG21 ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -63.63 164.24 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.376 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 4.0 mmmt -118.98 108.51 14.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.9 t -92.98 120.6 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.763 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -95.77 128.61 42.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.652 ' HG3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -115.2 168.23 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 12.8 tttt -65.7 137.2 96.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.706 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.05 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.682 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.0 t -79.54 -74.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.706 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -38.5 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.37 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.552 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -40.56 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.719 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -82.98 -45.49 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 11' ' ' SER . 29.9 tptt -40.23 -29.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.66 45.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -110.41 -36.47 1.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.995 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 168.93 167.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -66.8 162.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' HD23 ' A' ' 9' ' ' LEU . 22.3 m -112.47 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 12.8 m80 -141.9 106.25 5.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.873 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.03 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.65 -96.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD1' ' HB ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -121.26 -149.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.4 102.55 4.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.31 8.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 64.56 170.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -77.2 21.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.71 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.43 -165.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -152.15 117.47 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.827 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.17 153.38 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -169.89 21.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.87 -171.28 12.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.806 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.4 m -127.89 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.81 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.9 t -137.53 -58.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -125.09 -146.86 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.911 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -88.53 -21.34 0.26 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.911 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.0 52.76 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 28.01 44.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.81 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.52 158.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 5.2 mmmt -116.17 110.0 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.995 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 t -94.9 116.28 28.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.995 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.2 t -108.23 134.76 50.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.632 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -118.27 175.65 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.22 138.36 97.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.633 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.02 -65.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.1 t -73.63 -63.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.51 ' CG2' ' CG ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -43.15 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -44.79 -27.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.658 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.89 -47.62 13.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.604 ' O ' ' CB ' ' A' ' 11' ' ' SER . 10.3 tptt -38.63 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.9 p 150.87 42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -104.41 -40.12 2.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.978 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 169.74 161.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.662 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -65.31 160.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.658 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.9 m -108.36 113.68 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 10.7 m80 -140.92 107.44 6.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.901 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.98 75.74 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.95 -90.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.09 -159.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -134.03 99.15 13.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.8 mmp_? 73.54 169.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 19.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.771 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.58 -164.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -152.33 115.69 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.861 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.31 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 176.2 24.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.81 -178.44 17.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.785 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.8 m -118.91 -167.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.911 ' HB3' HG21 ' A' ' 35' ' ' THR . 6.9 t -139.8 -107.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.7 -73.15 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.993 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.6 OUTLIER -47.34 161.31 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 124.78 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.38 44.7 7.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.993 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.79 154.11 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.396 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -118.76 105.27 11.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.978 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.4 t -99.89 114.49 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.968 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -103.19 136.9 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.682 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.13 169.85 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -63.57 138.41 97.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.572 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.665 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.665 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.03 -35.85 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.7 t -92.97 -64.96 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.527 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -45.79 -29.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -43.71 -38.21 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.63 -46.5 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 11' ' ' SER . 28.2 tptt -39.32 -30.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.03 44.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 8' ' ' CYS . . . -108.03 -40.1 1.74 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.998 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -173.04 159.79 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pp -69.32 162.45 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.731 ' SG ' HD23 ' A' ' 9' ' ' LEU . 6.0 m -100.58 115.32 29.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 17.8 m80 -159.04 126.66 2.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.774 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.5 Cg_endo -74.95 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 17' ' ' PRO . 5.8 m 51.79 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 18' ' ' VAL . 92.7 m-85 -48.86 -178.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -115.92 121.87 33.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.0 mmp_? 61.55 174.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 17.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.62 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -81.49 163.39 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.7 ttpp -159.95 161.84 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 1.02 ' O ' HG23 ' A' ' 27' ' ' ILE . 5.1 tp60 -179.77 -129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.02 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 163.25 53.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -125.04 -167.93 12.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.819 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.6 m -131.4 -164.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.819 ' H ' HG22 ' A' ' 29' ' ' THR . 8.0 t -142.99 -67.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.648 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -116.32 -146.98 8.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.95 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -89.53 -20.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.95 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 53.22 3.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.48 42.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -53.35 170.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.76 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -124.25 131.01 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.998 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -110.09 119.66 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 108.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.85 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 1.5 t -107.0 163.86 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 10.8 tptp -159.44 174.97 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.8 134.23 95.16 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.548 1.814 . . . . 0.0 110.996 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.68 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.677 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.9 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' C ' ' N ' ' A' ' 8' ' ' CYS . 2.0 t -77.97 -60.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.616 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -44.72 -23.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.414 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.947 ' SG ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.93 -55.13 36.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.298 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.947 HD23 ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -71.29 -11.18 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.678 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.4 tptp -35.61 -39.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 5.1 t 142.9 76.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 -25.17 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.699 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -112.77 120.77 42.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -79.23 163.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.848 ' SG ' HD22 ' A' ' 9' ' ' LEU . 55.1 m -108.02 113.32 26.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.495 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 18.8 m80 -147.39 143.84 18.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.06 148.18 34.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 19' ' ' PHE . 6.4 m 39.74 -156.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 18' ' ' VAL . 40.2 m-85 -35.44 154.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.59 138.74 22.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.04 175.55 11.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 70.35 165.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -76.7 20.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.709 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -69.81 -163.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 24.1 tttm -150.56 118.55 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.16 152.12 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -171.49 24.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.44 -168.22 11.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -129.82 -168.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.435 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.069 ' HB3' HG21 ' A' ' 35' ' ' THR . 4.8 t -139.59 -95.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -135.91 -54.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.924 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.2 pp -46.36 170.23 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.554 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.92 104.7 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.59 61.86 2.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.069 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.33 169.99 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.415 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.89 100.68 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.699 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 1.1 t -91.8 123.13 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.249 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.837 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -107.91 142.5 37.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -139.16 -179.15 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.547 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.3 pttt -56.01 137.11 73.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.58 ' HD2' ' CG ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -54.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.612 HG12 ' N ' ' A' ' 7' ' ' THR . 1.8 t -78.36 -70.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.721 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -38.67 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -48.5 -41.61 30.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.229 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -69.16 -27.64 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' THR . 7.1 tptt -53.05 -21.4 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -113.81 18.12 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.65 8.0 83.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.776 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -84.35 125.83 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.693 HD12 ' ND1' ' A' ' 16' ' ' HIS . 2.2 pt -90.11 163.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 5' ' ' PRO . 3.8 m -113.36 115.54 28.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.693 ' ND1' HD12 ' A' ' 14' ' ' ILE . 6.0 p-80 -144.04 140.55 17.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.744 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 161.86 38.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 64.86 -170.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' VAL . 36.0 p90 -45.89 174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 114.5 64.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' ' CD2' ' A' ' 16' ' ' HIS . 18.4 Cg_endo -74.98 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.22 160.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TYR . 3.2 mtp-105 -81.54 26.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.672 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.76 -149.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -152.38 175.3 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.84 ' O ' HD12 ' A' ' 27' ' ' ILE . 45.5 tp60 92.25 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.57 43.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.644 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -107.33 140.46 15.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.3 m -40.69 178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.66 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 40.4 m -115.34 -57.84 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -134.36 -132.29 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.854 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -74.7 -28.62 0.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.854 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 163.62 34.86 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.58 35.07 1.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.66 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.24 172.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.763 ' CE ' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -139.33 96.58 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.776 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 38.3 t -91.15 128.47 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -124.15 136.65 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.729 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -118.43 172.42 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.89 141.04 97.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.639 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -15.4 20.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 7' ' ' THR . 1.7 t -110.33 -64.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -48.55 -33.0 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 1.7 t -51.99 -38.33 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.77 -37.04 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -57.25 -31.14 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -87.6 -11.19 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.16 31.65 66.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.749 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -104.47 143.57 32.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.726 HD12 ' ND1' ' A' ' 16' ' ' HIS . 1.3 pt -77.82 165.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -106.74 116.78 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 108.311 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.726 ' ND1' HD12 ' A' ' 14' ' ' ILE . 11.9 p-80 -154.38 134.21 7.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.822 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.02 156.92 42.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 73.84 -169.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.713 ' N ' HG23 ' A' ' 18' ' ' VAL . 53.7 m-85 -49.02 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -108.48 119.51 49.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.17 21.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 62.06 166.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -77.53 21.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.789 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -61.27 -154.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 5.2 tttt -153.28 109.94 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.852 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.51 160.53 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -179.18 19.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.36 -167.07 11.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -140.89 -163.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 29' ' ' THR . 1.8 t -126.89 -45.0 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 147.62 -30.67 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.741 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -51.57 -165.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.741 ' CD ' ' CB ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 73.87 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.56 66.79 1.83 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.602 HG21 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.08 170.34 16.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.419 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.65 111.04 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.749 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 t -98.13 120.7 39.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.789 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.7 t -117.82 137.43 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -124.66 -179.37 4.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 20.1 tttt -65.66 135.89 95.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.724 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.5 Cg_endo -74.98 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 7' ' ' THR . 1.7 t -77.9 -71.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.724 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.42 -26.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -41.21 -29.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.814 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -81.7 -45.79 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 11' ' ' SER . 7.3 tptm -39.36 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.1 t 153.27 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.574 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -107.03 -34.59 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 1.096 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 171.21 170.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.927 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.2 pt -78.51 159.64 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.814 ' SG ' HD23 ' A' ' 9' ' ' LEU . 34.6 m -106.97 116.45 31.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.927 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.3 p80 -142.32 120.94 7.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.941 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.0 64.29 6.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 169.26 172.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -41.1 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.26 113.92 53.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 171.71 17.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' TYR . 1.9 mmp_? 56.13 171.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.79 21.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.753 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.59 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -152.19 116.04 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.871 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.28 152.25 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.871 HG23 ' O ' ' A' ' 26' ' ' GLN . 2.0 pp -167.49 19.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' C ' ' CB ' ' A' ' 37' ' ' CYS . . . -147.67 -170.54 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.878 HG22 ' H ' ' A' ' 30' ' ' CYS . 17.0 m -132.05 -160.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.878 ' H ' HG22 ' A' ' 29' ' ' THR . 4.1 t -106.3 -68.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 108.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.666 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.41 -121.76 1.45 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.839 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -71.79 -29.17 1.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.839 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 151.72 39.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.76 37.65 1.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -51.63 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 25.9 mmmt -119.12 113.47 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.096 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 3.0 t -96.26 103.53 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.759 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.9 t -119.88 134.83 55.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -129.29 176.61 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.746 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.669 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.96 -82.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -78.14 -61.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.543 HG22 ' CG ' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -37.39 -31.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.746 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 22.6 t -63.51 -58.59 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.834 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -61.14 -25.42 66.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' O ' ' CB ' ' A' ' 11' ' ' SER . 26.7 tptt -50.99 -20.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.96 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -58.64 -28.69 63.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 38' ' ' CYS . . . 178.01 -176.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.919 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -96.35 158.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.834 ' SG ' HD23 ' A' ' 9' ' ' LEU . 13.9 m -106.13 119.19 38.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.919 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.3 p80 -145.47 107.98 4.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.907 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 80.66 2.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.907 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.86 -102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p90 -116.62 -174.08 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.508 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -117.81 85.85 23.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER 65.37 168.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 110.242 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -69.57 10.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.711 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.22 164.74 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.4 tttt -156.55 162.45 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.846 ' O ' HD12 ' A' ' 27' ' ' ILE . 17.5 tp60 164.92 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.89 50.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.635 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -123.3 118.14 3.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 28' ' ' GLY . 1.3 m -45.22 178.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' HD23 ' A' ' 9' ' ' LEU . 10.5 t -131.84 -40.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.534 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -143.78 -145.66 4.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.881 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -85.02 -26.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.04 49.2 2.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 25.56 44.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -52.68 173.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.374 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 5.4 mmmm -133.97 107.35 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.807 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.4 t -98.32 131.59 44.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.965 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 1.6 t -119.06 131.75 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -119.03 -179.16 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.592 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.64 142.47 98.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.731 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -83.24 -72.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.731 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -39.42 -28.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -40.79 -32.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.99 -49.07 14.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.8 tptt -44.52 -26.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 157.18 71.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.565 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -143.91 -46.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.974 ' HB1' ' C ' ' A' ' 38' ' ' CYS . . . 172.13 174.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.949 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.2 pt -79.53 161.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 12.1 m -108.25 118.08 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.949 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.1 p80 -149.02 139.49 13.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.852 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.03 149.45 36.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 76.23 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.701 ' N ' HG23 ' A' ' 18' ' ' VAL . 5.5 p90 -50.5 -173.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -105.05 118.31 56.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.1 mmp_? 60.02 166.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -77.36 20.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.783 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -59.49 -155.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 8.6 ttmt -151.71 108.21 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.87 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.8 155.27 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.87 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.6 pp -171.81 21.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.45 -170.15 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 1.025 HG23 ' O ' ' A' ' 35' ' ' THR . 5.9 m -137.71 -162.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.999 ' HB3' HG21 ' A' ' 35' ' ' THR . 1.6 t -133.99 -73.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.734 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -117.9 -145.7 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.975 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.39 -14.98 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.975 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 53.39 3.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 30.67 40.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.025 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -52.8 165.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 1.2 mmmm -131.93 115.21 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.945 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.7 t -100.47 116.84 33.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.974 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.4 t -116.31 140.39 49.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -125.86 161.39 27.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 6.1 pttt -64.97 133.59 95.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.04 -32.72 5.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 t -93.06 -59.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.537 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -50.27 -34.76 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 10.0 t -52.2 -33.19 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.348 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -69.3 -38.85 78.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -56.59 -26.82 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -81.49 2.69 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.85 8.19 60.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.631 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . -66.46 155.77 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.947 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -111.35 161.18 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' HD21 ' A' ' 9' ' ' LEU . 15.1 m -107.79 118.21 36.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.947 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.7 p80 -146.47 105.63 4.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.866 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 78.22 2.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 175.59 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 m-85 -125.72 -178.74 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -110.98 98.65 39.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 65.69 170.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 12.7 mtm105 -77.8 21.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.727 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -68.09 -164.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -150.83 119.17 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.54 156.39 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.1 pt -169.8 17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 -163.14 9.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.449 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -136.0 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.543 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 8.9 t -84.71 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.566 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -146.52 -112.23 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.828 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.17 -31.83 1.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.828 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.05 154.86 42.57 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.03 30.82 1.56 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.543 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -50.88 171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.434 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -112.19 117.89 33.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.549 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 2.5 t -97.98 108.12 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.727 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -115.42 134.39 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 108.356 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -129.13 178.55 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 62.6 tttt -65.66 136.14 95.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.708 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -22.91 14.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 t -94.44 -61.08 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.524 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -56.16 -28.98 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -45.34 -27.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -83.94 -40.39 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.9 tptt -80.21 1.75 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -128.09 -46.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -102.87 -83.4 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.964 ' HB3' ' O ' ' A' ' 38' ' ' CYS . . . 176.16 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.657 HD12 ' ND1' ' A' ' 16' ' ' HIS . 4.7 pt -108.61 160.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -115.15 114.78 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.657 ' ND1' HD12 ' A' ' 14' ' ' ILE . 9.1 p-80 -145.09 133.22 10.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.853 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.05 152.38 40.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.853 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 76.6 -167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.746 ' N ' HG23 ' A' ' 18' ' ' VAL . 4.2 p90 -46.53 177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.22 112.52 57.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.98 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.9 mmp_? 67.12 169.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -68.77 10.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.698 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -72.15 163.93 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.6 mttp -153.91 156.73 38.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.835 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 1.2 tp-100 171.19 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.829 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.2 mt 87.27 55.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.651 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -134.31 118.77 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.2 m -42.71 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.547 ' H ' HG22 ' A' ' 29' ' ' THR . 0.1 OUTLIER -143.71 -88.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.34 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.689 ' H ' HG21 ' A' ' 35' ' ' THR . . . -136.99 -70.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.085 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.6 OUTLIER -43.64 169.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HD2' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.19 47.57 6.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.544 1.153 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.085 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.86 158.52 30.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.421 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 8.8 mmmm -137.99 97.79 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 6.2 t -89.38 133.77 34.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.964 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.7 t -131.05 149.17 52.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.851 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -140.96 178.17 7.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.657 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.45 136.21 94.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.847 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.02 -8.77 20.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 7' ' ' THR . 1.6 t -118.32 -63.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -52.06 -35.44 47.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.736 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 16.3 t -62.07 -35.64 79.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.995 HD22 ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -77.68 -45.32 25.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.593 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 tptp -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.593 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.35 44.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -108.9 -37.71 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.979 ' HB1' ' O ' ' A' ' 38' ' ' CYS . . . -176.53 171.72 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -76.11 166.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.995 ' SG ' HD22 ' A' ' 9' ' ' LEU . 24.8 m -110.21 113.39 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 21.1 m80 -149.84 146.42 20.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 150.52 38.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 19' ' ' PHE . 10.1 m 35.92 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' N ' HG23 ' A' ' 18' ' ' VAL . 42.4 m-85 -38.78 159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 3.2 p -122.58 139.22 30.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 108.275 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.03 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 66.46 164.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -76.69 20.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -69.93 -164.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 116.56 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.884 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -102.24 159.41 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER 179.93 23.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.28 -170.95 12.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.748 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.3 m -122.99 -169.4 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.072 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.5 t -139.47 -42.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 156.74 -52.29 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.065 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.7 pp -46.59 177.05 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -74.95 98.14 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.61 68.61 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.072 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -86.08 174.45 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 110.423 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 2.6 mmmm -144.22 104.78 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.934 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 3.9 t -93.69 119.99 33.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.979 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -100.76 130.67 46.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.333 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.665 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.99 173.65 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 13.7 tttt -56.53 141.17 72.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.667 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.667 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -13.45 114.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.99 59.67 0.39 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.809 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -149.85 -176.83 0.6 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 7' ' ' THR . 2.0 t -85.46 -72.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.809 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -38.06 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -48.97 -44.86 41.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -71.87 -30.05 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -60.52 -21.66 62.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -104.76 5.08 33.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.08 17.36 67.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -59.19 148.56 31.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 1.1 pp -81.71 164.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 m -114.36 113.54 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 20.9 m80 -148.33 124.24 5.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.72 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -74.96 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.72 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 67.08 -76.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' A' ' 20' ' ' CYS . 4.4 p90 -144.36 -161.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 15.3 p -147.74 121.74 4.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.268 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 78.54 168.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.18 12.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.735 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.45 164.09 23.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 13.2 ttmt -173.22 155.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.839 ' O ' HD12 ' A' ' 27' ' ' ILE . 42.5 tt0 -168.5 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.33 41.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.87 -154.19 21.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.3 m -138.61 -170.17 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.738 ' H ' HG22 ' A' ' 29' ' ' THR . 3.6 t -120.13 -56.25 2.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.691 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.66 -127.1 1.88 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.857 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -73.55 -27.15 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -75.02 153.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.86 37.11 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -49.94 161.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.409 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.1 mmmm -112.46 103.73 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 1.8 t -84.45 136.9 33.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.735 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.1 t -121.39 139.77 53.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -140.42 176.39 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -66.94 112.81 10.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.704 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.704 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER 2.98 103.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 129.87 56.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.66 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -143.02 -173.22 0.35 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.66 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.94 -57.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 7' ' ' THR . 1.5 t -77.27 -60.7 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.524 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -45.38 -29.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -50.76 -44.65 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.317 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -69.49 -35.67 75.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -59.55 -22.19 61.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 1.4 m -102.61 7.39 39.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.69 12.55 64.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -64.06 121.57 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.955 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.0 OUTLIER -67.39 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.69 117.44 34.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.955 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.8 p80 -145.65 108.94 4.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.932 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 83.51 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.77 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 9.5 p90 -128.09 -175.14 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -112.56 94.36 27.43 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.01 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.02 172.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -73.76 15.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.694 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -73.54 164.65 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 9.4 tttm -159.69 163.61 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 15.4 tp60 166.99 -68.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.66 46.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 37' ' ' CYS . . . -101.6 177.86 27.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 30' ' ' CYS . 1.3 m -113.31 -174.63 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.409 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.883 ' HB3' HG21 ' A' ' 35' ' ' THR . 1.8 t -156.23 84.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.77 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -61.38 147.47 87.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.777 ' O ' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 156.56 42.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.06 85.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.883 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.26 150.46 33.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.728 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -118.59 101.88 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -100.44 127.9 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.254 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -129.38 138.62 51.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.675 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -130.96 -175.08 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.4 ttpt -45.46 140.63 4.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.647 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -17.1 112.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.72 65.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -138.56 -173.99 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.02 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.567 1.825 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.9 t -74.24 -59.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -47.38 -25.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.444 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -45.22 -27.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.334 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -78.68 -44.23 24.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.6 tptt -41.25 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.1 m 152.77 44.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.708 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -111.3 -33.24 2.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.962 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 161.64 167.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.952 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.1 pt -76.93 160.17 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' SG ' HD21 ' A' ' 9' ' ' LEU . 34.4 m -105.64 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.952 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.7 p80 -149.72 136.15 10.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.911 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 147.68 34.42 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 77.29 178.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' N ' HG23 ' A' ' 18' ' ' VAL . 18.4 p90 -42.34 169.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -90.73 120.1 68.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.312 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.94 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 59.22 166.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 20.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.874 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.8 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -151.11 110.0 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.908 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.56 154.64 20.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -173.5 23.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.14 -176.35 18.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.732 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.8 m -128.12 -162.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 1.044 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.6 t -140.51 -99.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . -136.18 -54.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.021 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.1 pp -43.76 170.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.609 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.93 63.24 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.044 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.17 162.7 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -123.99 105.39 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.962 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 6.0 t -98.97 112.74 24.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.937 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.3 t -114.63 140.09 49.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 108.243 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.646 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 2.9 ptpt -124.5 179.39 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.3 137.75 96.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.697 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.697 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -8.0 109.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.92 -67.74 0.77 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.715 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 178.01 -177.43 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -77.59 -71.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.715 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -42.04 -25.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -42.98 -39.46 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.522 HD21 ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -67.87 -43.59 79.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' THR . 1.2 tptt -64.94 -17.46 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -86.52 4.05 41.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.91 8.71 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' CYS . . . -86.77 150.17 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.92 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -97.02 161.02 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' HD21 ' A' ' 9' ' ' LEU . 5.7 m -106.95 118.81 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.92 ' CD2' HD12 ' A' ' 14' ' ' ILE . 3.4 p80 -148.73 106.03 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.887 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.0 81.46 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.55 -100.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 6.1 p90 -124.26 -176.86 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -112.71 95.41 32.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.55 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 64.31 174.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -69.84 12.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -75.01 162.85 28.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -156.53 155.71 32.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.973 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER 171.08 -137.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.973 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.97 34.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.21 -168.81 39.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.782 HG22 ' H ' ' A' ' 30' ' ' CYS . 9.2 m -132.16 -168.32 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.782 ' H ' HG22 ' A' ' 29' ' ' THR . 4.4 t -116.46 -62.71 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.668 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -142.64 -125.46 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.842 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.04 -28.87 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.842 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 153.05 41.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.35 38.04 1.17 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -50.5 159.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.404 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 14.3 mmmt -108.05 109.61 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 1.9 t -98.38 127.37 44.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.638 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 2.0 t -121.96 154.17 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.697 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -148.73 177.35 9.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.641 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -65.26 135.86 96.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.686 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.686 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -10.26 111.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.78 63.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.718 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -126.87 -177.45 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -74.97 -40.51 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.71 HG12 ' N ' ' A' ' 7' ' ' THR . 1.6 t -89.96 -74.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.718 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -36.24 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -41.05 -35.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.775 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -79.97 -46.04 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' SER . 4.5 tptt -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 153.34 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -105.11 -41.36 1.95 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.984 ' HB1' ' C ' ' A' ' 38' ' ' CYS . . . 169.59 170.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -70.17 165.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.775 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.9 m -108.59 113.39 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 18.8 m80 -149.59 146.83 21.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.04 148.92 35.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 19' ' ' PHE . 5.9 m 36.94 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' N ' HG23 ' A' ' 18' ' ' VAL . 30.0 m-85 -39.97 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.3 p -123.64 138.7 30.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' O ' ' CZ ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.93 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 68.12 166.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -77.07 20.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.31 -165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 16.2 tptt -152.16 119.05 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.88 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -101.65 152.61 20.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -170.94 21.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 -165.9 10.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 30' ' ' CYS . 4.1 m -131.46 -166.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.345 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 1.064 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.9 t -140.17 -96.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.507 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -137.83 -53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.03 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.1 pp -46.1 171.22 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.571 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.01 104.38 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 62.94 2.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.064 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.87 175.66 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.366 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -140.11 104.84 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.935 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 2.9 t -93.2 121.34 34.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.984 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -103.73 131.46 50.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.686 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.92 174.55 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.2 ptpt -64.96 138.91 97.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.5 102.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.53 69.25 0.84 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.83 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -108.67 -173.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.659 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.98 -89.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.2 t -64.9 -58.16 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.546 HG22 ' OD2' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -40.79 -31.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.836 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -55.61 -45.76 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -67.51 -32.2 72.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -55.34 -20.04 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.44 ' CB ' ' HE2' ' A' ' 39' ' ' LYS . 71.8 m -110.5 17.36 20.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 10.07 84.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 8' ' ' CYS . . . -78.74 135.75 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.991 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -94.02 156.24 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 9' ' ' LEU . 60.3 m -106.69 118.17 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.991 ' CD2' HD12 ' A' ' 14' ' ' ILE . 1.7 p80 -142.63 107.37 5.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.921 ' HB3' HD21 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.03 77.81 3.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.79 -102.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.632 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 64.1 m-85 -113.44 -174.77 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -116.49 85.67 16.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.5 mmp_? 75.0 166.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -68.56 8.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.713 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -77.45 163.2 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -155.95 152.52 28.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.852 ' O ' HD12 ' A' ' 27' ' ' ILE . 46.3 tp60 177.76 -76.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.05 55.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -133.19 129.97 5.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.61 HG22 ' H ' ' A' ' 30' ' ' CYS . 3.0 m -48.93 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.61 ' H ' HG22 ' A' ' 29' ' ' THR . 47.2 t -145.27 -105.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.63 -83.63 1.63 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.986 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.8 OUTLIER -47.43 165.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.08 39.29 16.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.986 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.9 153.83 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.426 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -128.26 104.32 7.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.815 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 7.2 t -99.71 134.12 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 108.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.713 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -118.1 150.56 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 108.262 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.785 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -129.81 -174.54 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.657 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 9.1 pttm -67.09 147.12 99.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.569 ' C ' HG21 ' A' ' 7' ' ' THR . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -28.29 106.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.16 58.53 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.69 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -138.35 -177.24 0.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.03 -54.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.606 HG12 ' N ' ' A' ' 7' ' ' THR . 2.0 t -75.5 -71.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.69 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.24 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -42.55 -31.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 108.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -74.47 -45.84 43.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' THR . 9.4 tptm -58.12 -16.63 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 6.4 m -93.94 -12.45 28.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.5 57.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.791 ' HB2' ' CG ' ' A' ' 39' ' ' LYS . . . -64.23 152.82 39.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.968 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -101.48 156.44 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' HD21 ' A' ' 9' ' ' LEU . 58.4 m -106.23 119.63 39.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.968 ' CD2' HD12 ' A' ' 14' ' ' ILE . 1.2 p80 -142.19 107.53 5.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.874 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.97 70.72 5.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 174.83 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 2.2 p90 -122.18 -172.43 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 90.99 26.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.368 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.23 16.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 74.82 173.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -71.3 13.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.649 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -79.77 163.15 24.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -157.95 155.15 28.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.363 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 1.031 ' O ' HG23 ' A' ' 27' ' ' ILE . 25.4 tp60 176.59 -133.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.031 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.48 43.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -109.07 -168.07 20.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.787 HG22 ' H ' ' A' ' 30' ' ' CYS . 6.6 m -135.28 -166.23 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.787 ' H ' HG22 ' A' ' 29' ' ' THR . 6.1 t -144.44 -62.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -115.56 -148.35 9.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.928 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.57 -20.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.928 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.52 45.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.775 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.76 157.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.357 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -112.23 115.07 28.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.65 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 1.6 t -103.11 127.58 50.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.265 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.678 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 2.7 t -122.92 153.19 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.791 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 5.5 mtpt -139.73 -174.64 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.646 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 2.4 pttt -67.26 142.05 96.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.441 1.759 . . . . 0.0 110.978 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -38.23 158.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.81 69.71 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -147.59 -178.89 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.01 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.606 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -78.29 -71.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.723 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -40.38 -25.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -44.5 -30.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -72.1 -40.31 68.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 7' ' ' THR . 3.2 tptm -56.35 -19.46 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.67 6.86 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.17 5.38 71.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.69 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -62.7 144.21 56.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.585 HD11 ' CB ' ' A' ' 38' ' ' CYS . 1.1 pp -93.54 162.68 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 27.1 m -113.01 114.02 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 25.0 m80 -146.8 143.35 18.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.09 146.77 32.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.789 HG23 ' N ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 39.59 -159.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.789 ' N ' HG23 ' A' ' 18' ' ' VAL . 26.0 m-85 -33.86 140.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 p -107.01 141.07 22.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 -176.55 2.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER 66.53 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -78.82 22.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -65.85 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -154.57 103.77 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.763 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -77.88 148.74 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -167.73 21.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.95 -168.15 12.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.814 HG22 ' H ' ' A' ' 30' ' ' CYS . 8.1 m -129.09 -166.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.952 ' O ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER 172.6 57.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.752 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . 146.95 152.33 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.844 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.09 -30.6 5.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.01 52.42 3.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 33.84 61.65 0.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.952 HG21 ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -63.63 164.24 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.376 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 4.0 mmmt -118.98 108.51 14.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.9 t -92.98 120.6 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.763 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -95.77 128.61 42.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.652 ' HG3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -115.2 168.23 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 12.8 tttt -65.7 137.2 96.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.489 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -33.21 106.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.73 64.44 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.706 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -134.56 -177.98 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.05 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.682 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.0 t -79.54 -74.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.706 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -38.5 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.37 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.552 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -40.56 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.719 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -82.98 -45.49 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 11' ' ' SER . 29.9 tptt -40.23 -29.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.66 45.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -110.41 -36.47 1.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.995 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 168.93 167.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -66.8 162.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' HD23 ' A' ' 9' ' ' LEU . 22.3 m -112.47 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 12.8 m80 -141.9 106.25 5.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.873 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.03 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.65 -96.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD1' ' HB ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -121.26 -149.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.4 102.55 4.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.31 8.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 64.56 170.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -77.2 21.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.71 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.43 -165.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -152.15 117.47 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.827 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.17 153.38 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -169.89 21.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.87 -171.28 12.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.806 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.4 m -127.89 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.81 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.9 t -137.53 -58.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -125.09 -146.86 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.911 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -88.53 -21.34 0.26 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.911 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.0 52.76 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 28.01 44.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.81 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.52 158.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 5.2 mmmt -116.17 110.0 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.995 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 t -94.9 116.28 28.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.995 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.2 t -108.23 134.76 50.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.632 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -118.27 175.65 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.22 138.36 97.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.51 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -32.26 107.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.12 65.58 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.633 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -113.26 -174.91 0.29 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.02 -65.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.1 t -73.63 -63.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.51 ' CG2' ' CG ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -43.15 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -44.79 -27.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.658 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.89 -47.62 13.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.604 ' O ' ' CB ' ' A' ' 11' ' ' SER . 10.3 tptt -38.63 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.9 p 150.87 42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -104.41 -40.12 2.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.978 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 169.74 161.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.662 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -65.31 160.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.658 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.9 m -108.36 113.68 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 10.7 m80 -140.92 107.44 6.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.901 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.98 75.74 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.95 -90.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.09 -159.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -134.03 99.15 13.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.8 mmp_? 73.54 169.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 19.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.771 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.58 -164.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -152.33 115.69 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.861 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.31 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 176.2 24.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.81 -178.44 17.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.785 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.8 m -118.91 -167.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.911 ' HB3' HG21 ' A' ' 35' ' ' THR . 6.9 t -139.8 -107.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.7 -73.15 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.993 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.6 OUTLIER -47.34 161.31 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 124.78 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.38 44.7 7.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.993 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.79 154.11 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.396 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -118.76 105.27 11.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.978 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.4 t -99.89 114.49 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.968 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -103.19 136.9 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.682 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.13 169.85 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -63.57 138.41 97.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.572 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.663 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.663 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -13.76 115.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.52 63.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.665 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -132.19 -173.54 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.665 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.03 -35.85 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.7 t -92.97 -64.96 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.527 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -45.79 -29.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -43.71 -38.21 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.63 -46.5 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 11' ' ' SER . 28.2 tptt -39.32 -30.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.03 44.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 8' ' ' CYS . . . -108.03 -40.1 1.74 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.998 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -173.04 159.79 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pp -69.32 162.45 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.731 ' SG ' HD23 ' A' ' 9' ' ' LEU . 6.0 m -100.58 115.32 29.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 17.8 m80 -159.04 126.66 2.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.774 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.5 Cg_endo -74.95 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 17' ' ' PRO . 5.8 m 51.79 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 18' ' ' VAL . 92.7 m-85 -48.86 -178.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -115.92 121.87 33.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.0 mmp_? 61.55 174.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 17.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.62 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -81.49 163.39 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.7 ttpp -159.95 161.84 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 1.02 ' O ' HG23 ' A' ' 27' ' ' ILE . 5.1 tp60 -179.77 -129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.02 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 163.25 53.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -125.04 -167.93 12.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.819 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.6 m -131.4 -164.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.819 ' H ' HG22 ' A' ' 29' ' ' THR . 8.0 t -142.99 -67.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.648 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -116.32 -146.98 8.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.95 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -89.53 -20.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.95 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 53.22 3.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.48 42.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -53.35 170.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.76 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -124.25 131.01 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.998 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -110.09 119.66 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 108.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.85 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 1.5 t -107.0 163.86 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 10.8 tptp -159.44 174.97 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.8 134.23 95.16 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.548 1.814 . . . . 0.0 110.996 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.639 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -19.25 111.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.435 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 114.53 66.4 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.68 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -143.41 -172.97 0.34 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.677 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.9 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' C ' ' N ' ' A' ' 8' ' ' CYS . 2.0 t -77.97 -60.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.616 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -44.72 -23.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.414 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.947 ' SG ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.93 -55.13 36.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.298 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.947 HD23 ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -71.29 -11.18 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.678 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.4 tptp -35.61 -39.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 5.1 t 142.9 76.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 -25.17 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.699 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -112.77 120.77 42.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -79.23 163.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.848 ' SG ' HD22 ' A' ' 9' ' ' LEU . 55.1 m -108.02 113.32 26.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.495 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 18.8 m80 -147.39 143.84 18.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.06 148.18 34.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 19' ' ' PHE . 6.4 m 39.74 -156.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 18' ' ' VAL . 40.2 m-85 -35.44 154.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.59 138.74 22.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.04 175.55 11.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 70.35 165.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -76.7 20.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.709 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -69.81 -163.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 24.1 tttm -150.56 118.55 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.16 152.12 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -171.49 24.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.44 -168.22 11.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -129.82 -168.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.435 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 1.069 ' HB3' HG21 ' A' ' 35' ' ' THR . 4.8 t -139.59 -95.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -135.91 -54.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.924 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.2 pp -46.36 170.23 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.554 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.92 104.7 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.59 61.86 2.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.069 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.33 169.99 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.415 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.89 100.68 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.699 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 1.1 t -91.8 123.13 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.249 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.837 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -107.91 142.5 37.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -139.16 -179.15 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.547 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.3 pttt -56.01 137.11 73.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.594 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -24.21 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.32 -4.87 4.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -137.72 179.45 1.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.58 ' HD2' ' CG ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -54.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.612 HG12 ' N ' ' A' ' 7' ' ' THR . 1.8 t -78.36 -70.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.721 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -38.67 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -48.5 -41.61 30.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.229 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -69.16 -27.64 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' THR . 7.1 tptt -53.05 -21.4 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -113.81 18.12 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.65 8.0 83.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.776 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -84.35 125.83 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.693 HD12 ' ND1' ' A' ' 16' ' ' HIS . 2.2 pt -90.11 163.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 5' ' ' PRO . 3.8 m -113.36 115.54 28.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.693 ' ND1' HD12 ' A' ' 14' ' ' ILE . 6.0 p-80 -144.04 140.55 17.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.744 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 161.86 38.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 64.86 -170.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' VAL . 36.0 p90 -45.89 174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 114.5 64.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' ' CD2' ' A' ' 16' ' ' HIS . 18.4 Cg_endo -74.98 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.22 160.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TYR . 3.2 mtp-105 -81.54 26.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.672 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.76 -149.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -152.38 175.3 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.84 ' O ' HD12 ' A' ' 27' ' ' ILE . 45.5 tp60 92.25 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.57 43.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.644 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -107.33 140.46 15.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.3 m -40.69 178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.66 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 40.4 m -115.34 -57.84 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -134.36 -132.29 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.854 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -74.7 -28.62 0.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.854 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 163.62 34.86 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.58 35.07 1.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.66 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.24 172.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.763 ' CE ' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -139.33 96.58 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.776 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 38.3 t -91.15 128.47 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -124.15 136.65 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.729 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -118.43 172.42 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.89 141.04 97.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.608 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -23.07 127.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.241 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' O ' HG23 ' A' ' 29' ' ' THR . . . 146.91 72.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.639 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -136.64 -174.5 0.41 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -15.4 20.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 7' ' ' THR . 1.7 t -110.33 -64.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -48.55 -33.0 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 1.7 t -51.99 -38.33 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.77 -37.04 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -57.25 -31.14 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -87.6 -11.19 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.16 31.65 66.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.749 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -104.47 143.57 32.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.726 HD12 ' ND1' ' A' ' 16' ' ' HIS . 1.3 pt -77.82 165.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -106.74 116.78 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 108.311 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.726 ' ND1' HD12 ' A' ' 14' ' ' ILE . 11.9 p-80 -154.38 134.21 7.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.822 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.02 156.92 42.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 73.84 -169.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.713 ' N ' HG23 ' A' ' 18' ' ' VAL . 53.7 m-85 -49.02 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -108.48 119.51 49.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.17 21.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 62.06 166.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -77.53 21.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.789 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -61.27 -154.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 5.2 tttt -153.28 109.94 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.852 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.51 160.53 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -179.18 19.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.36 -167.07 11.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -140.89 -163.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 29' ' ' THR . 1.8 t -126.89 -45.0 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 147.62 -30.67 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.741 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -51.57 -165.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.741 ' CD ' ' CB ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 73.87 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.56 66.79 1.83 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.602 HG21 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.08 170.34 16.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.419 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.65 111.04 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.749 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 t -98.13 120.7 39.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.789 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.7 t -117.82 137.43 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -124.66 -179.37 4.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 20.1 tttt -65.66 135.89 95.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -34.43 137.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.3 58.61 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.724 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -144.15 179.76 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.5 Cg_endo -74.98 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 7' ' ' THR . 1.7 t -77.9 -71.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.724 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.42 -26.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -41.21 -29.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.814 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -81.7 -45.79 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 11' ' ' SER . 7.3 tptm -39.36 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.1 t 153.27 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.574 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -107.03 -34.59 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 1.096 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 171.21 170.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.927 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.2 pt -78.51 159.64 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.814 ' SG ' HD23 ' A' ' 9' ' ' LEU . 34.6 m -106.97 116.45 31.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.927 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.3 p80 -142.32 120.94 7.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.941 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.0 64.29 6.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 169.26 172.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -41.1 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.26 113.92 53.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 171.71 17.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' TYR . 1.9 mmp_? 56.13 171.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.79 21.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.753 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.59 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -152.19 116.04 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.871 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.28 152.25 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.871 HG23 ' O ' ' A' ' 26' ' ' GLN . 2.0 pp -167.49 19.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' C ' ' CB ' ' A' ' 37' ' ' CYS . . . -147.67 -170.54 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.878 HG22 ' H ' ' A' ' 30' ' ' CYS . 17.0 m -132.05 -160.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.878 ' H ' HG22 ' A' ' 29' ' ' THR . 4.1 t -106.3 -68.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 108.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.666 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.41 -121.76 1.45 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.839 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -71.79 -29.17 1.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.839 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 151.72 39.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.76 37.65 1.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -51.63 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 25.9 mmmt -119.12 113.47 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.096 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 3.0 t -96.26 103.53 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.759 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.9 t -119.88 134.83 55.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -129.29 176.61 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -23.5 104.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.45 57.4 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.746 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -103.59 -172.97 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.669 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.96 -82.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -78.14 -61.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.543 HG22 ' CG ' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -37.39 -31.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.746 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 22.6 t -63.51 -58.59 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.834 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -61.14 -25.42 66.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' O ' ' CB ' ' A' ' 11' ' ' SER . 26.7 tptt -50.99 -20.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.96 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -58.64 -28.69 63.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 38' ' ' CYS . . . 178.01 -176.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.919 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -96.35 158.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.834 ' SG ' HD23 ' A' ' 9' ' ' LEU . 13.9 m -106.13 119.19 38.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.919 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.3 p80 -145.47 107.98 4.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.907 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 80.66 2.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.907 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.86 -102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p90 -116.62 -174.08 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.508 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -117.81 85.85 23.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER 65.37 168.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 110.242 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -69.57 10.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.711 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.22 164.74 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.4 tttt -156.55 162.45 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.846 ' O ' HD12 ' A' ' 27' ' ' ILE . 17.5 tp60 164.92 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.89 50.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.635 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -123.3 118.14 3.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 28' ' ' GLY . 1.3 m -45.22 178.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' HD23 ' A' ' 9' ' ' LEU . 10.5 t -131.84 -40.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.534 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -143.78 -145.66 4.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.881 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -85.02 -26.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.04 49.2 2.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 25.56 44.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -52.68 173.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.374 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 5.4 mmmm -133.97 107.35 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.807 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.4 t -98.32 131.59 44.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.965 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 1.6 t -119.06 131.75 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -119.03 -179.16 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.592 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.64 142.47 98.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.53 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.53 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -29.09 114.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.8 -71.34 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.731 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -174.3 -177.74 0.34 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -83.24 -72.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.731 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -39.42 -28.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -40.79 -32.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.99 -49.07 14.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.8 tptt -44.52 -26.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 157.18 71.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.565 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -143.91 -46.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.974 ' HB1' ' C ' ' A' ' 38' ' ' CYS . . . 172.13 174.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.949 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.2 pt -79.53 161.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 12.1 m -108.25 118.08 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.949 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.1 p80 -149.02 139.49 13.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.852 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.03 149.45 36.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 76.23 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.701 ' N ' HG23 ' A' ' 18' ' ' VAL . 5.5 p90 -50.5 -173.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -105.05 118.31 56.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.1 mmp_? 60.02 166.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -77.36 20.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.783 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -59.49 -155.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 8.6 ttmt -151.71 108.21 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.87 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.8 155.27 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.87 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.6 pp -171.81 21.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.45 -170.15 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 1.025 HG23 ' O ' ' A' ' 35' ' ' THR . 5.9 m -137.71 -162.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.999 ' HB3' HG21 ' A' ' 35' ' ' THR . 1.6 t -133.99 -73.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.734 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -117.9 -145.7 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.975 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.39 -14.98 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.975 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 53.39 3.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 30.67 40.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.025 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -52.8 165.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 1.2 mmmm -131.93 115.21 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.945 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.7 t -100.47 116.84 33.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.974 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.4 t -116.31 140.39 49.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -125.86 161.39 27.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 6.1 pttt -64.97 133.59 95.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.625 ' O ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 47.06 170.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.576 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -118.33 -72.65 0.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -160.67 -172.97 0.35 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.04 -32.72 5.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 t -93.06 -59.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.537 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -50.27 -34.76 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 10.0 t -52.2 -33.19 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.348 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -69.3 -38.85 78.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -56.59 -26.82 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -81.49 2.69 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.85 8.19 60.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.631 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . -66.46 155.77 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.947 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -111.35 161.18 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' HD21 ' A' ' 9' ' ' LEU . 15.1 m -107.79 118.21 36.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.947 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.7 p80 -146.47 105.63 4.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.866 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 78.22 2.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 175.59 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 m-85 -125.72 -178.74 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -110.98 98.65 39.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 65.69 170.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 12.7 mtm105 -77.8 21.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.727 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -68.09 -164.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -150.83 119.17 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.54 156.39 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.1 pt -169.8 17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 -163.14 9.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.449 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -136.0 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.543 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 8.9 t -84.71 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.566 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -146.52 -112.23 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.828 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.17 -31.83 1.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.828 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.05 154.86 42.57 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.03 30.82 1.56 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.543 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -50.88 171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.434 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -112.19 117.89 33.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.549 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 2.5 t -97.98 108.12 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.727 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -115.42 134.39 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 108.356 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -129.13 178.55 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 62.6 tttt -65.66 136.14 95.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.706 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.706 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.4 mt -7.5 101.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.493 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . -125.67 -72.38 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.708 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -160.01 -171.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -22.91 14.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 t -94.44 -61.08 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.524 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -56.16 -28.98 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -45.34 -27.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -83.94 -40.39 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.9 tptt -80.21 1.75 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -128.09 -46.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -102.87 -83.4 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.964 ' HB3' ' O ' ' A' ' 38' ' ' CYS . . . 176.16 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.657 HD12 ' ND1' ' A' ' 16' ' ' HIS . 4.7 pt -108.61 160.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -115.15 114.78 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.657 ' ND1' HD12 ' A' ' 14' ' ' ILE . 9.1 p-80 -145.09 133.22 10.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.853 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.05 152.38 40.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.853 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 76.6 -167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.746 ' N ' HG23 ' A' ' 18' ' ' VAL . 4.2 p90 -46.53 177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.22 112.52 57.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.98 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.54 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.9 mmp_? 67.12 169.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -68.77 10.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.698 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -72.15 163.93 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.6 mttp -153.91 156.73 38.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.835 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 1.2 tp-100 171.19 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.829 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.2 mt 87.27 55.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.651 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -134.31 118.77 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.2 m -42.71 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' H ' HG22 ' A' ' 29' ' ' THR . 0.1 OUTLIER -143.71 -88.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.34 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.689 ' H ' HG21 ' A' ' 35' ' ' THR . . . -136.99 -70.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.085 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.6 OUTLIER -43.64 169.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HD2' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.19 47.57 6.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.544 1.153 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.085 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.86 158.52 30.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.421 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 8.8 mmmm -137.99 97.79 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 6.2 t -89.38 133.77 34.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.964 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.7 t -131.05 149.17 52.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.851 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -140.96 178.17 7.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.657 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.45 136.21 94.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -23.3 128.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.403 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 143.71 74.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -136.34 -174.39 0.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.847 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.02 -8.77 20.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 7' ' ' THR . 1.6 t -118.32 -63.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -52.06 -35.44 47.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.736 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 16.3 t -62.07 -35.64 79.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.995 HD22 ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -77.68 -45.32 25.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.593 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 tptp -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.593 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.35 44.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -108.9 -37.71 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.979 ' HB1' ' O ' ' A' ' 38' ' ' CYS . . . -176.53 171.72 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -76.11 166.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.995 ' SG ' HD22 ' A' ' 9' ' ' LEU . 24.8 m -110.21 113.39 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 21.1 m80 -149.84 146.42 20.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 150.52 38.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 19' ' ' PHE . 10.1 m 35.92 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' N ' HG23 ' A' ' 18' ' ' VAL . 42.4 m-85 -38.78 159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 3.2 p -122.58 139.22 30.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 108.275 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.03 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 66.46 164.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -76.69 20.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -69.93 -164.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 116.56 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.884 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -102.24 159.41 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER 179.93 23.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.28 -170.95 12.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.748 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.3 m -122.99 -169.4 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 1.072 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.5 t -139.47 -42.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 156.74 -52.29 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.065 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.7 pp -46.59 177.05 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -74.95 98.14 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.61 68.61 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.072 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -86.08 174.45 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 110.423 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 2.6 mmmm -144.22 104.78 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.934 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 3.9 t -93.69 119.99 33.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.979 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -100.76 130.67 46.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.333 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.665 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.99 173.65 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 13.7 tttt -56.53 141.17 72.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.809 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 7' ' ' THR . 2.0 t -85.46 -72.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.809 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -38.06 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -48.97 -44.86 41.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.473 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -71.87 -30.05 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -60.52 -21.66 62.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -104.76 5.08 33.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.08 17.36 67.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -59.19 148.56 31.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 1.1 pp -81.71 164.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 m -114.36 113.54 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 27.6 m-70 -148.33 124.24 5.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.72 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -74.96 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.72 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 67.08 -76.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' A' ' 20' ' ' CYS . 4.4 p90 -144.36 -161.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 15.3 p -147.74 121.74 4.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.268 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 78.54 168.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.18 12.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.735 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.45 164.09 23.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 13.2 ttmt -173.22 155.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.839 ' O ' HD12 ' A' ' 27' ' ' ILE . 42.5 tt0 -168.5 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.33 41.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.87 -154.19 21.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.3 m -138.61 -170.17 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.738 ' H ' HG22 ' A' ' 29' ' ' THR . 3.6 t -120.13 -56.25 2.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.691 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.66 -127.1 1.88 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.857 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -73.55 -27.15 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -75.02 153.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.86 37.11 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -49.94 161.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.409 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.1 mmmm -112.46 103.73 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 1.8 t -84.45 136.9 33.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.735 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.1 t -121.39 139.77 53.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -140.42 176.39 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -66.94 112.81 10.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.66 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.66 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.94 -57.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 7' ' ' THR . 1.5 t -77.27 -60.7 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.524 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -45.38 -29.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -50.76 -44.65 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.317 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -69.49 -35.67 75.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -59.55 -22.19 61.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.413 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 1.4 m -102.61 7.39 39.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.69 12.55 64.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -64.06 121.57 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.955 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.0 OUTLIER -67.39 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.69 117.44 34.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.955 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.8 p80 -145.65 108.94 4.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.932 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 83.51 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.77 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 9.5 p90 -128.09 -175.14 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -112.56 94.36 27.43 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.01 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.02 172.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -73.76 15.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.694 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -73.54 164.65 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 9.4 tttm -159.69 163.61 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 15.4 tp60 166.99 -68.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.66 46.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 37' ' ' CYS . . . -101.6 177.86 27.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 30' ' ' CYS . 1.3 m -113.31 -174.63 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.409 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.883 ' HB3' HG21 ' A' ' 35' ' ' THR . 1.8 t -156.23 84.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.77 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -61.38 147.47 87.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.777 ' O ' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 156.56 42.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.06 85.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.883 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.26 150.46 33.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.728 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -118.59 101.88 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -100.44 127.9 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.254 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -129.38 138.62 51.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.675 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -130.96 -175.08 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.4 ttpt -45.46 140.63 4.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.02 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.567 1.825 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.9 t -74.24 -59.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -47.38 -25.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.444 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -45.22 -27.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.334 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -78.68 -44.23 24.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.6 tptt -41.25 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.1 m 152.77 44.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.708 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -111.3 -33.24 2.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.962 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 161.64 167.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.952 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.1 pt -76.93 160.17 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' SG ' HD21 ' A' ' 9' ' ' LEU . 34.4 m -105.64 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.952 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.7 p80 -149.72 136.15 10.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.911 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 147.68 34.42 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 77.29 178.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' N ' HG23 ' A' ' 18' ' ' VAL . 18.4 p90 -42.34 169.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -90.73 120.1 68.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.312 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.94 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 59.22 166.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 20.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.874 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.8 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -151.11 110.0 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.908 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.56 154.64 20.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -173.5 23.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.14 -176.35 18.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.732 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.8 m -128.12 -162.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.044 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.6 t -140.51 -99.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . -136.18 -54.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.021 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.1 pp -43.76 170.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.609 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.93 63.24 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.044 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.17 162.7 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -123.99 105.39 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.962 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 6.0 t -98.97 112.74 24.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.937 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.3 t -114.63 140.09 49.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 108.243 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.646 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 2.9 ptpt -124.5 179.39 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.3 137.75 96.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.715 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -77.59 -71.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.715 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -42.04 -25.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -42.98 -39.46 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.522 HD21 ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -67.87 -43.59 79.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' THR . 1.2 tptt -64.94 -17.46 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -86.52 4.05 41.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.91 8.71 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' CYS . . . -86.77 150.17 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.92 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -97.02 161.02 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' HD21 ' A' ' 9' ' ' LEU . 5.7 m -106.95 118.81 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.92 ' CD2' HD12 ' A' ' 14' ' ' ILE . 3.4 p80 -148.73 106.03 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.887 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.0 81.46 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.55 -100.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 6.1 p90 -124.26 -176.86 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -112.71 95.41 32.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.55 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 64.31 174.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -69.84 12.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -75.01 162.85 28.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -156.53 155.71 32.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.973 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.2 OUTLIER 171.08 -137.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.973 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.97 34.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' N ' HE21 ' A' ' 26' ' ' GLN . . . -93.21 -168.81 39.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.782 HG22 ' H ' ' A' ' 30' ' ' CYS . 9.2 m -132.16 -168.32 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.782 ' H ' HG22 ' A' ' 29' ' ' THR . 4.4 t -116.46 -62.71 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.668 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -142.64 -125.46 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.842 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.04 -28.87 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.842 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 153.05 41.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.35 38.04 1.17 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -50.5 159.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.404 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 14.3 mmmt -108.05 109.61 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 1.9 t -98.38 127.37 44.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.638 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 2.0 t -121.96 154.17 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.697 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -148.73 177.35 9.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.641 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -65.26 135.86 96.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.718 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -74.97 -40.51 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.71 HG12 ' N ' ' A' ' 7' ' ' THR . 1.6 t -89.96 -74.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.718 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -36.24 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -41.05 -35.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.775 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -79.97 -46.04 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' SER . 4.5 tptt -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 153.34 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -105.11 -41.36 1.95 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.984 ' HB1' ' C ' ' A' ' 38' ' ' CYS . . . 169.59 170.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -70.17 165.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.775 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.9 m -108.59 113.39 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 21.5 m-70 -149.59 146.83 21.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.04 148.92 35.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 19' ' ' PHE . 5.9 m 36.94 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' N ' HG23 ' A' ' 18' ' ' VAL . 30.0 m-85 -39.97 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.3 p -123.64 138.7 30.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' O ' ' CZ ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.93 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 68.12 166.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -77.07 20.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.31 -165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 16.2 tptt -152.16 119.05 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.88 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -101.65 152.61 20.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -170.94 21.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 -165.9 10.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 30' ' ' CYS . 4.1 m -131.46 -166.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.345 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.064 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.9 t -140.17 -96.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.507 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -137.83 -53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.03 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.1 pp -46.1 171.22 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.571 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.01 104.38 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 62.94 2.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.064 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.87 175.66 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.366 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -140.11 104.84 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.935 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 2.9 t -93.2 121.34 34.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.984 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -103.73 131.46 50.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.686 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.92 174.55 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.2 ptpt -64.96 138.91 97.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.83 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.659 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.98 -89.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.2 t -64.9 -58.16 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.546 HG22 ' OD2' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -40.79 -31.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.836 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -55.61 -45.76 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -67.51 -32.2 72.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -55.34 -20.04 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.44 ' CB ' ' HE2' ' A' ' 39' ' ' LYS . 71.8 m -110.5 17.36 20.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 10.07 84.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 8' ' ' CYS . . . -78.74 135.75 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.991 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -94.02 156.24 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 9' ' ' LEU . 60.3 m -106.69 118.17 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.991 ' CD2' HD12 ' A' ' 14' ' ' ILE . 1.7 p80 -142.63 107.37 5.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.921 ' HB3' HD21 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.03 77.81 3.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.79 -102.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.632 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 64.1 m-85 -113.44 -174.77 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -116.49 85.67 16.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.5 mmp_? 75.0 166.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -68.56 8.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.713 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -77.45 163.2 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -155.95 152.52 28.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.852 ' O ' HD12 ' A' ' 27' ' ' ILE . 46.3 tp60 177.76 -76.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.05 55.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -133.19 129.97 5.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.61 HG22 ' H ' ' A' ' 30' ' ' CYS . 3.0 m -48.93 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.61 ' H ' HG22 ' A' ' 29' ' ' THR . 47.2 t -145.27 -105.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.63 -83.63 1.63 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.986 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.8 OUTLIER -47.43 165.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.08 39.29 16.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.986 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.9 153.83 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.426 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -128.26 104.32 7.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.815 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 7.2 t -99.71 134.12 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 108.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.713 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -118.1 150.56 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 108.262 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.785 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -129.81 -174.54 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.657 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 9.1 pttm -67.09 147.12 99.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.69 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.03 -54.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.606 HG12 ' N ' ' A' ' 7' ' ' THR . 2.0 t -75.5 -71.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.69 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.24 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -42.55 -31.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 108.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -74.47 -45.84 43.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' THR . 9.4 tptm -58.12 -16.63 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 6.4 m -93.94 -12.45 28.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.5 57.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.791 ' HB2' ' CG ' ' A' ' 39' ' ' LYS . . . -64.23 152.82 39.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.968 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -101.48 156.44 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' HD21 ' A' ' 9' ' ' LEU . 58.4 m -106.23 119.63 39.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.968 ' CD2' HD12 ' A' ' 14' ' ' ILE . 1.2 p80 -142.19 107.53 5.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.874 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.97 70.72 5.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 174.83 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 2.2 p90 -122.18 -172.43 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 90.99 26.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.368 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.23 16.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 74.82 173.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -71.3 13.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.649 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -79.77 163.15 24.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -157.95 155.15 28.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.363 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 1.031 ' O ' HG23 ' A' ' 27' ' ' ILE . 5.5 tp-100 176.59 -133.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.031 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.48 43.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -109.07 -168.07 20.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.787 HG22 ' H ' ' A' ' 30' ' ' CYS . 6.6 m -135.28 -166.23 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.787 ' H ' HG22 ' A' ' 29' ' ' THR . 6.1 t -144.44 -62.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -115.56 -148.35 9.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.928 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.57 -20.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.928 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.52 45.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.775 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.76 157.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.357 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -112.23 115.07 28.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.65 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 1.6 t -103.11 127.58 50.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.265 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.678 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 2.7 t -122.92 153.19 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.791 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 5.5 mtpt -139.73 -174.64 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.646 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 2.4 pttt -67.26 142.05 96.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.441 1.759 . . . . 0.0 110.978 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.01 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.606 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -78.29 -71.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.723 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -40.38 -25.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -44.5 -30.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -72.1 -40.31 68.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 7' ' ' THR . 3.2 tptm -56.35 -19.46 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.67 6.86 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.17 5.38 71.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.69 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -62.7 144.21 56.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.585 HD11 ' CB ' ' A' ' 38' ' ' CYS . 1.1 pp -93.54 162.68 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 27.1 m -113.01 114.02 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 24.7 m-70 -146.8 143.35 18.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.09 146.77 32.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.789 HG23 ' N ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 39.59 -159.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.789 ' N ' HG23 ' A' ' 18' ' ' VAL . 26.0 m-85 -33.86 140.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 p -107.01 141.07 22.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 -176.55 2.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER 66.53 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -78.82 22.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -65.85 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -154.57 103.77 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.763 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -77.88 148.74 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -167.73 21.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.95 -168.15 12.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.814 HG22 ' H ' ' A' ' 30' ' ' CYS . 8.1 m -129.09 -166.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.952 ' O ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER 172.6 57.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.752 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . 146.95 152.33 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.844 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.09 -30.6 5.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.01 52.42 3.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 33.84 61.65 0.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.952 HG21 ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -63.63 164.24 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.376 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 4.0 mmmt -118.98 108.51 14.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.9 t -92.98 120.6 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.763 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -95.77 128.61 42.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.652 ' HG3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -115.2 168.23 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 12.8 tttt -65.7 137.2 96.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.706 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.05 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.682 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.0 t -79.54 -74.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.706 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -38.5 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.37 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.552 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -40.56 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.719 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -82.98 -45.49 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 11' ' ' SER . 29.9 tptt -40.23 -29.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.66 45.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -110.41 -36.47 1.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.995 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 168.93 167.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -66.8 162.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' HD23 ' A' ' 9' ' ' LEU . 22.3 m -112.47 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 12.0 m-70 -141.9 106.25 5.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.873 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.03 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.65 -96.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD1' ' HB ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -121.26 -149.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.4 102.55 4.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.31 8.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 64.56 170.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -77.2 21.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.71 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.43 -165.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -152.15 117.47 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.827 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.17 153.38 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -169.89 21.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.87 -171.28 12.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.806 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.4 m -127.89 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.81 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.9 t -137.53 -58.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -125.09 -146.86 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.911 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -88.53 -21.34 0.26 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.911 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.0 52.76 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 28.01 44.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.81 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.52 158.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 5.2 mmmt -116.17 110.0 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.995 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 t -94.9 116.28 28.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.995 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.2 t -108.23 134.76 50.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.632 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -118.27 175.65 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.22 138.36 97.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.633 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.02 -65.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.1 t -73.63 -63.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.51 ' CG2' ' CG ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -43.15 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -44.79 -27.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.658 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.89 -47.62 13.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.604 ' O ' ' CB ' ' A' ' 11' ' ' SER . 10.3 tptt -38.63 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.9 p 150.87 42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -104.41 -40.12 2.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.978 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 169.74 161.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.662 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -65.31 160.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.658 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.9 m -108.36 113.68 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 8.6 m-70 -140.92 107.44 6.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.901 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.98 75.74 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.95 -90.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.09 -159.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -134.03 99.15 13.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.8 mmp_? 73.54 169.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 19.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.771 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.58 -164.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -152.33 115.69 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.861 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.31 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 176.2 24.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.81 -178.44 17.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.785 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.8 m -118.91 -167.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.911 ' HB3' HG21 ' A' ' 35' ' ' THR . 6.9 t -139.8 -107.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.7 -73.15 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.993 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.6 OUTLIER -47.34 161.31 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 124.78 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.38 44.7 7.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.993 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.79 154.11 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.396 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -118.76 105.27 11.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.978 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.4 t -99.89 114.49 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.968 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -103.19 136.9 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.682 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.13 169.85 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -63.57 138.41 97.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.572 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.665 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.665 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.03 -35.85 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.7 t -92.97 -64.96 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.527 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -45.79 -29.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -43.71 -38.21 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.63 -46.5 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 11' ' ' SER . 28.2 tptt -39.32 -30.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.03 44.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 8' ' ' CYS . . . -108.03 -40.1 1.74 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.998 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -173.04 159.79 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pp -69.32 162.45 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.731 ' SG ' HD23 ' A' ' 9' ' ' LEU . 6.0 m -100.58 115.32 29.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 34.0 m-70 -159.04 126.66 2.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.774 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.5 Cg_endo -74.95 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 17' ' ' PRO . 5.8 m 51.79 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 18' ' ' VAL . 92.7 m-85 -48.86 -178.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -115.92 121.87 33.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.0 mmp_? 61.55 174.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 17.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.62 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -81.49 163.39 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.7 ttpp -159.95 161.84 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 1.02 ' O ' HG23 ' A' ' 27' ' ' ILE . 5.1 tp60 -179.77 -129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.02 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 163.25 53.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -125.04 -167.93 12.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.819 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.6 m -131.4 -164.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.819 ' H ' HG22 ' A' ' 29' ' ' THR . 8.0 t -142.99 -67.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.648 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -116.32 -146.98 8.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.95 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -89.53 -20.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.95 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 53.22 3.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.48 42.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -53.35 170.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.76 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -124.25 131.01 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.998 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -110.09 119.66 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 108.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.85 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 1.5 t -107.0 163.86 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 10.8 tptp -159.44 174.97 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.8 134.23 95.16 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.548 1.814 . . . . 0.0 110.996 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.68 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.677 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.9 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' C ' ' N ' ' A' ' 8' ' ' CYS . 2.0 t -77.97 -60.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.616 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -44.72 -23.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.414 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.947 ' SG ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.93 -55.13 36.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.298 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.947 HD23 ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -71.29 -11.18 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.678 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.4 tptp -35.61 -39.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 5.1 t 142.9 76.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 -25.17 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.699 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -112.77 120.77 42.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -79.23 163.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.848 ' SG ' HD22 ' A' ' 9' ' ' LEU . 55.1 m -108.02 113.32 26.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.495 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 18.2 m-70 -147.39 143.84 18.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.06 148.18 34.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 19' ' ' PHE . 6.4 m 39.74 -156.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 18' ' ' VAL . 40.2 m-85 -35.44 154.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.59 138.74 22.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.04 175.55 11.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 70.35 165.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -76.7 20.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.709 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -69.81 -163.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 24.1 tttm -150.56 118.55 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.16 152.12 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -171.49 24.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.44 -168.22 11.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -129.82 -168.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.435 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.069 ' HB3' HG21 ' A' ' 35' ' ' THR . 4.8 t -139.59 -95.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -135.91 -54.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.924 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.2 pp -46.36 170.23 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.554 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.92 104.7 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.59 61.86 2.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.069 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.33 169.99 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.415 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.89 100.68 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.699 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 1.1 t -91.8 123.13 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.249 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.837 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -107.91 142.5 37.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -139.16 -179.15 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.547 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.3 pttt -56.01 137.11 73.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.58 ' HD2' ' CG ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -54.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.612 HG12 ' N ' ' A' ' 7' ' ' THR . 1.8 t -78.36 -70.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.721 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -38.67 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -48.5 -41.61 30.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.229 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -69.16 -27.64 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' THR . 7.1 tptt -53.05 -21.4 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -113.81 18.12 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.65 8.0 83.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.776 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -84.35 125.83 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.893 HD12 ' CD2' ' A' ' 16' ' ' HIS . 2.2 pt -90.11 163.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 5' ' ' PRO . 3.8 m -113.36 115.54 28.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.893 ' CD2' HD12 ' A' ' 14' ' ' ILE . 3.5 p80 -144.04 140.55 17.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.744 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 161.86 38.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 64.86 -170.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' VAL . 36.0 p90 -45.89 174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 114.5 64.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.4 Cg_endo -74.98 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.22 160.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TYR . 3.2 mtp-105 -81.54 26.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.672 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.76 -149.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -152.38 175.3 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.84 ' O ' HD12 ' A' ' 27' ' ' ILE . 45.5 tp60 92.25 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.57 43.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.644 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -107.33 140.46 15.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.3 m -40.69 178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.66 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 40.4 m -115.34 -57.84 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -134.36 -132.29 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.854 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -74.7 -28.62 0.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.854 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 163.62 34.86 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.58 35.07 1.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.66 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.24 172.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.763 ' CE ' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -139.33 96.58 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.776 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 38.3 t -91.15 128.47 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -124.15 136.65 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.729 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -118.43 172.42 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.89 141.04 97.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.639 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -15.4 20.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 7' ' ' THR . 1.7 t -110.33 -64.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -48.55 -33.0 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 1.7 t -51.99 -38.33 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.77 -37.04 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -57.25 -31.14 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -87.6 -11.19 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.16 31.65 66.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.749 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -104.47 143.57 32.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.919 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -77.82 165.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -106.74 116.78 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 108.311 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.919 ' CD2' HD12 ' A' ' 14' ' ' ILE . 7.1 p80 -154.38 134.21 7.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.822 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.02 156.92 42.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 73.84 -169.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.713 ' N ' HG23 ' A' ' 18' ' ' VAL . 53.7 m-85 -49.02 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -108.48 119.51 49.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.97 170.17 21.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 62.06 166.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -77.53 21.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.789 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -61.27 -154.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 5.2 tttt -153.28 109.94 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.852 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.51 160.53 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -179.18 19.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.36 -167.07 11.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -140.89 -163.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 29' ' ' THR . 1.8 t -126.89 -45.0 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 147.62 -30.67 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.741 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -51.57 -165.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.741 ' CD ' ' CB ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 73.87 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.56 66.79 1.83 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.602 HG21 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.08 170.34 16.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.419 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.65 111.04 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.749 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 t -98.13 120.7 39.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.789 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.7 t -117.82 137.43 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -124.66 -179.37 4.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 20.1 tttt -65.66 135.89 95.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.724 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.5 Cg_endo -74.98 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 7' ' ' THR . 1.7 t -77.9 -71.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.724 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.42 -26.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -41.21 -29.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.814 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -81.7 -45.79 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 11' ' ' SER . 7.3 tptm -39.36 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.1 t 153.27 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.574 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -107.03 -34.59 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 1.096 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 171.21 170.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.927 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.2 pt -78.51 159.64 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.814 ' SG ' HD23 ' A' ' 9' ' ' LEU . 34.6 m -106.97 116.45 31.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.927 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.3 p80 -142.32 120.94 7.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.941 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.0 64.29 6.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 169.26 172.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -41.1 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.26 113.92 53.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 171.71 17.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' TYR . 1.9 mmp_? 56.13 171.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.79 21.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.753 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.59 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -152.19 116.04 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.871 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.28 152.25 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.871 HG23 ' O ' ' A' ' 26' ' ' GLN . 2.0 pp -167.49 19.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' C ' ' CB ' ' A' ' 37' ' ' CYS . . . -147.67 -170.54 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.878 HG22 ' H ' ' A' ' 30' ' ' CYS . 17.0 m -132.05 -160.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.878 ' H ' HG22 ' A' ' 29' ' ' THR . 4.1 t -106.3 -68.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 108.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.666 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.41 -121.76 1.45 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.839 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -71.79 -29.17 1.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.839 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 151.72 39.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.76 37.65 1.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -51.63 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 25.9 mmmt -119.12 113.47 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.096 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 3.0 t -96.26 103.53 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.759 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.9 t -119.88 134.83 55.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -129.29 176.61 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.746 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.669 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.96 -82.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -78.14 -61.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.543 HG22 ' CG ' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -37.39 -31.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.746 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 22.6 t -63.51 -58.59 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.834 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -61.14 -25.42 66.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' O ' ' CB ' ' A' ' 11' ' ' SER . 26.7 tptt -50.99 -20.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.96 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -58.64 -28.69 63.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 38' ' ' CYS . . . 178.01 -176.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.919 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -96.35 158.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.834 ' SG ' HD23 ' A' ' 9' ' ' LEU . 13.9 m -106.13 119.19 38.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.919 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.3 p80 -145.47 107.98 4.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.907 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 80.66 2.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.907 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.86 -102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p90 -116.62 -174.08 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.508 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -117.81 85.85 23.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER 65.37 168.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 110.242 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -69.57 10.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.711 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.22 164.74 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.4 tttt -156.55 162.45 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.846 ' O ' HD12 ' A' ' 27' ' ' ILE . 17.5 tp60 164.92 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.89 50.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.635 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -123.3 118.14 3.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 28' ' ' GLY . 1.3 m -45.22 178.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' HD23 ' A' ' 9' ' ' LEU . 10.5 t -131.84 -40.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.534 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -143.78 -145.66 4.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.881 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -85.02 -26.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.04 49.2 2.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 25.56 44.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -52.68 173.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.374 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 5.4 mmmm -133.97 107.35 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.807 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.4 t -98.32 131.59 44.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.965 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 1.6 t -119.06 131.75 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -119.03 -179.16 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.592 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.64 142.47 98.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.731 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -83.24 -72.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.731 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -39.42 -28.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -40.79 -32.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.99 -49.07 14.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.8 tptt -44.52 -26.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 157.18 71.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.565 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -143.91 -46.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.974 ' HB1' ' C ' ' A' ' 38' ' ' CYS . . . 172.13 174.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.949 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.2 pt -79.53 161.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 12.1 m -108.25 118.08 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.949 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.1 p80 -149.02 139.49 13.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.852 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.03 149.45 36.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 76.23 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.701 ' N ' HG23 ' A' ' 18' ' ' VAL . 5.5 p90 -50.5 -173.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -105.05 118.31 56.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.1 mmp_? 60.02 166.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -77.36 20.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.783 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -59.49 -155.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 8.6 ttmt -151.71 108.21 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.87 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.8 155.27 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.87 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.6 pp -171.81 21.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.45 -170.15 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 1.025 HG23 ' O ' ' A' ' 35' ' ' THR . 5.9 m -137.71 -162.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.999 ' HB3' HG21 ' A' ' 35' ' ' THR . 1.6 t -133.99 -73.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.734 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -117.9 -145.7 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.975 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.39 -14.98 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.975 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 53.39 3.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 30.67 40.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.025 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -52.8 165.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 1.2 mmmm -131.93 115.21 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.945 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.7 t -100.47 116.84 33.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.974 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.4 t -116.31 140.39 49.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -125.86 161.39 27.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 6.1 pttt -64.97 133.59 95.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.04 -32.72 5.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 t -93.06 -59.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.537 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -50.27 -34.76 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 10.0 t -52.2 -33.19 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.348 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -69.3 -38.85 78.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -56.59 -26.82 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -81.49 2.69 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.85 8.19 60.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.631 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . -66.46 155.77 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.947 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -111.35 161.18 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' HD21 ' A' ' 9' ' ' LEU . 15.1 m -107.79 118.21 36.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.947 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.7 p80 -146.47 105.63 4.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.866 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 78.22 2.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 175.59 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 m-85 -125.72 -178.74 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -110.98 98.65 39.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 65.69 170.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 12.7 mtm105 -77.8 21.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.727 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -68.09 -164.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -150.83 119.17 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.54 156.39 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.1 pt -169.8 17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 -163.14 9.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.449 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -136.0 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.543 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 8.9 t -84.71 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.566 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -146.52 -112.23 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.828 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.17 -31.83 1.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.828 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.05 154.86 42.57 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.03 30.82 1.56 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.543 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -50.88 171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.434 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -112.19 117.89 33.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.549 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 2.5 t -97.98 108.12 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.727 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -115.42 134.39 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 108.356 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -129.13 178.55 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 62.6 tttt -65.66 136.14 95.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.708 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -22.91 14.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 t -94.44 -61.08 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.524 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -56.16 -28.98 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -45.34 -27.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -83.94 -40.39 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.9 tptt -80.21 1.75 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -128.09 -46.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -102.87 -83.4 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.964 ' HB3' ' O ' ' A' ' 38' ' ' CYS . . . 176.16 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.857 HD12 ' CD2' ' A' ' 16' ' ' HIS . 4.7 pt -108.61 160.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -115.15 114.78 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.857 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.8 p80 -145.09 133.22 10.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.853 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.05 152.38 40.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.853 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 76.6 -167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.746 ' N ' HG23 ' A' ' 18' ' ' VAL . 4.2 p90 -46.53 177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.22 112.52 57.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.98 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.9 mmp_? 67.12 169.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -68.77 10.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.698 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -72.15 163.93 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.6 mttp -153.91 156.73 38.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.835 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 1.2 tp-100 171.19 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.829 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.2 mt 87.27 55.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.651 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -134.31 118.77 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.2 m -42.71 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.547 ' H ' HG22 ' A' ' 29' ' ' THR . 0.1 OUTLIER -143.71 -88.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.34 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.689 ' H ' HG21 ' A' ' 35' ' ' THR . . . -136.99 -70.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.085 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.6 OUTLIER -43.64 169.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HD2' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.19 47.57 6.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.544 1.153 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.085 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.86 158.52 30.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.421 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 8.8 mmmm -137.99 97.79 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 6.2 t -89.38 133.77 34.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.964 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.7 t -131.05 149.17 52.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.851 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -140.96 178.17 7.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.657 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.45 136.21 94.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.847 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.02 -8.77 20.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 7' ' ' THR . 1.6 t -118.32 -63.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -52.06 -35.44 47.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.736 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 16.3 t -62.07 -35.64 79.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.995 HD22 ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -77.68 -45.32 25.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.593 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 tptp -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.593 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.35 44.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -108.9 -37.71 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.979 ' HB1' ' O ' ' A' ' 38' ' ' CYS . . . -176.53 171.72 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -76.11 166.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.995 ' SG ' HD22 ' A' ' 9' ' ' LEU . 24.8 m -110.21 113.39 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 24.5 m-70 -149.84 146.42 20.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 150.52 38.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 19' ' ' PHE . 10.1 m 35.92 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' N ' HG23 ' A' ' 18' ' ' VAL . 42.4 m-85 -38.78 159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 3.2 p -122.58 139.22 30.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 108.275 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.03 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 66.46 164.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -76.69 20.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -69.93 -164.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 116.56 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.884 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -102.24 159.41 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER 179.93 23.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.28 -170.95 12.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.748 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.3 m -122.99 -169.4 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.072 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.5 t -139.47 -42.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 156.74 -52.29 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.065 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.7 pp -46.59 177.05 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -74.95 98.14 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.61 68.61 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.072 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -86.08 174.45 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 110.423 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 2.6 mmmm -144.22 104.78 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.934 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 3.9 t -93.69 119.99 33.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.979 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -100.76 130.67 46.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.333 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.665 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.99 173.65 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 13.7 tttt -56.53 141.17 72.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.667 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.667 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -13.45 114.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.99 59.67 0.39 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.809 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -149.85 -176.83 0.6 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 7' ' ' THR . 2.0 t -85.46 -72.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.809 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -38.06 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -48.97 -44.86 41.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.254 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -71.87 -30.05 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 7' ' ' THR . 0.3 OUTLIER -60.52 -21.66 62.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -104.76 5.08 33.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.08 17.36 67.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -59.19 148.56 31.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 1.1 pp -81.71 164.44 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 m -114.36 113.54 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 27.6 m-70 -148.33 124.24 5.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.72 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -74.96 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.72 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 67.08 -76.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CG ' ' N ' ' A' ' 20' ' ' CYS . 4.4 p90 -144.36 -161.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 15.3 p -147.74 121.74 4.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.268 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 78.54 168.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -71.18 12.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.735 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.45 164.09 23.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 13.2 ttmt -173.22 155.46 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.839 ' O ' HD12 ' A' ' 27' ' ' ILE . 42.5 tt0 -168.5 -59.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.33 41.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.87 -154.19 21.2 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.738 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.3 m -138.61 -170.17 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.751 . . . . 0.0 110.375 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.738 ' H ' HG22 ' A' ' 29' ' ' THR . 3.6 t -120.13 -56.25 2.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.691 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.66 -127.1 1.88 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.857 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -73.55 -27.15 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.857 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -75.02 153.94 42.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.771 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.86 37.11 1.05 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -49.94 161.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.409 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 2.1 mmmm -112.46 103.73 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 1.8 t -84.45 136.9 33.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.286 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.735 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.1 t -121.39 139.77 53.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 108.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -140.42 176.39 8.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -66.94 112.81 10.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.459 1.768 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.704 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.704 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER 2.98 103.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 129.87 56.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.66 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -143.02 -173.22 0.35 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.66 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.94 -57.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 7' ' ' THR . 1.5 t -77.27 -60.7 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.524 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -45.38 -29.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -50.76 -44.65 58.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.317 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -69.49 -35.67 75.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -59.55 -22.19 61.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 1.4 m -102.61 7.39 39.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.69 12.55 64.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . . . -64.06 121.57 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.955 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.0 OUTLIER -67.39 160.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.69 117.44 34.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.955 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.8 p80 -145.65 108.94 4.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.932 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 83.51 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.77 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 9.5 p90 -128.09 -175.14 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -112.56 94.36 27.43 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.01 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.02 172.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -73.76 15.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.694 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -73.54 164.65 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 9.4 tttm -159.69 163.61 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 15.4 tp60 166.99 -68.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.66 46.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 37' ' ' CYS . . . -101.6 177.86 27.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 30' ' ' CYS . 1.3 m -113.31 -174.63 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.409 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.883 ' HB3' HG21 ' A' ' 35' ' ' THR . 1.8 t -156.23 84.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.77 -85.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -61.38 147.47 87.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.777 ' O ' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 156.56 42.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.06 85.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.883 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.26 150.46 33.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 0.728 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -118.59 101.88 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -100.44 127.9 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 108.254 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -129.38 138.62 51.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.675 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -130.96 -175.08 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.4 ttpt -45.46 140.63 4.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.647 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -17.1 112.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.72 65.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.054 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.643 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -138.56 -173.99 0.39 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.64 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.02 -60.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.567 1.825 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.568 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.9 t -74.24 -59.31 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -47.38 -25.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.444 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -45.22 -27.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.334 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -78.68 -44.23 24.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.6 tptt -41.25 -29.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.1 m 152.77 44.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.708 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -111.3 -33.24 2.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.962 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 161.64 167.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.952 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.1 pt -76.93 160.17 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' SG ' HD21 ' A' ' 9' ' ' LEU . 34.4 m -105.64 116.96 32.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.952 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.7 p80 -149.72 136.15 10.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.911 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 147.68 34.42 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 77.29 178.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' N ' HG23 ' A' ' 18' ' ' VAL . 18.4 p90 -42.34 169.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -90.73 120.1 68.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.312 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.94 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 59.22 166.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 20.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.874 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.8 -154.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -151.11 110.0 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.908 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.56 154.64 20.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -173.5 23.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.14 -176.35 18.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.732 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.8 m -128.12 -162.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 1.044 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.6 t -140.51 -99.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . -136.18 -54.87 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.021 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.1 pp -43.76 170.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.609 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.93 63.24 2.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.044 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.17 162.7 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -123.99 105.39 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.962 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 6.0 t -98.97 112.74 24.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 108.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.937 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.3 t -114.63 140.09 49.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 108.243 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.646 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 2.9 ptpt -124.5 179.39 4.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.3 137.75 96.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.697 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.697 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -8.0 109.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.92 -67.74 0.77 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.715 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER 178.01 -177.43 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.581 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -77.59 -71.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.715 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -42.04 -25.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -42.98 -39.46 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.522 HD21 ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -67.87 -43.59 79.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 7' ' ' THR . 1.2 tptt -64.94 -17.46 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -86.52 4.05 41.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.91 8.71 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 38' ' ' CYS . . . -86.77 150.17 24.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.92 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -97.02 161.02 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' HD21 ' A' ' 9' ' ' LEU . 5.7 m -106.95 118.81 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.92 ' CD2' HD12 ' A' ' 14' ' ' ILE . 3.4 p80 -148.73 106.03 3.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.887 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.0 81.46 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.564 1.823 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.55 -100.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 6.1 p90 -124.26 -176.86 3.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -112.71 95.41 32.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 108.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.71 9.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.55 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 64.31 174.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.24 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -69.84 12.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -75.01 162.85 28.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -156.53 155.71 32.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.973 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.2 OUTLIER 171.08 -137.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.973 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.97 34.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' N ' HE21 ' A' ' 26' ' ' GLN . . . -93.21 -168.81 39.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.782 HG22 ' H ' ' A' ' 30' ' ' CYS . 9.2 m -132.16 -168.32 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 0.763 . . . . 0.0 110.43 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.782 ' H ' HG22 ' A' ' 29' ' ' THR . 4.4 t -116.46 -62.71 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.668 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -142.64 -125.46 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.842 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.04 -28.87 1.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.842 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.0 153.05 41.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.35 38.04 1.17 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -50.5 159.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.404 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 14.3 mmmt -108.05 109.61 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 1.9 t -98.38 127.37 44.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.638 ' HA ' ' HB3' ' A' ' 26' ' ' GLN . 2.0 t -121.96 154.17 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.269 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.697 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -148.73 177.35 9.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.641 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -65.26 135.86 96.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.686 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.686 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -10.26 111.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.78 63.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.718 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -126.87 -177.45 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -74.97 -40.51 0.89 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.517 1.798 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.71 HG12 ' N ' ' A' ' 7' ' ' THR . 1.6 t -89.96 -74.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.718 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -36.24 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -41.05 -35.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.775 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -79.97 -46.04 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 11' ' ' SER . 4.5 tptt -39.41 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.574 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 153.34 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -105.11 -41.36 1.95 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.984 ' HB1' ' C ' ' A' ' 38' ' ' CYS . . . 169.59 170.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -70.17 165.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.775 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.9 m -108.59 113.39 26.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 21.5 m-70 -149.59 146.83 21.45 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.04 148.92 35.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 19' ' ' PHE . 5.9 m 36.94 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' N ' HG23 ' A' ' 18' ' ' VAL . 30.0 m-85 -39.97 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.3 p -123.64 138.7 30.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' O ' ' CZ ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.93 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 68.12 166.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.6 mtt-85 -77.07 20.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -71.31 -165.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 16.2 tptt -152.16 119.05 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.88 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -101.65 152.61 20.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -170.94 21.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.91 -165.9 10.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.715 HG22 ' H ' ' A' ' 30' ' ' CYS . 4.1 m -131.46 -166.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.345 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 1.064 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.9 t -140.17 -96.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 108.288 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.507 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -137.83 -53.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.03 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.1 pp -46.1 171.22 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.571 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.01 104.38 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.28 62.94 2.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.046 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.064 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.87 175.66 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.366 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -140.11 104.84 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.935 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 2.9 t -93.2 121.34 34.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.984 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -103.73 131.46 50.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.686 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.92 174.55 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 17.2 ptpt -64.96 138.91 97.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.5 102.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.53 69.25 0.84 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.83 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -108.67 -173.21 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.659 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.98 -89.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.2 t -64.9 -58.16 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.546 HG22 ' OD2' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -40.79 -31.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.405 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.836 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -55.61 -45.76 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -67.51 -32.2 72.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -55.34 -20.04 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.44 ' CB ' ' HE2' ' A' ' 39' ' ' LYS . 71.8 m -110.5 17.36 20.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 10.07 84.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 8' ' ' CYS . . . -78.74 135.75 37.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.991 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -94.02 156.24 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 9' ' ' LEU . 60.3 m -106.69 118.17 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.991 ' CD2' HD12 ' A' ' 14' ' ' ILE . 1.7 p80 -142.63 107.37 5.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.921 ' HB3' HD21 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.03 77.81 3.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.904 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.79 -102.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.632 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 64.1 m-85 -113.44 -174.77 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -116.49 85.67 16.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.35 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.52 16.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.5 mmp_? 75.0 166.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -68.56 8.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.713 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -77.45 163.2 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -155.95 152.52 28.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.852 ' O ' HD12 ' A' ' 27' ' ' ILE . 46.3 tp60 177.76 -76.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.05 55.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -133.19 129.97 5.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.61 HG22 ' H ' ' A' ' 30' ' ' CYS . 3.0 m -48.93 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.61 ' H ' HG22 ' A' ' 29' ' ' THR . 47.2 t -145.27 -105.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.63 -83.63 1.63 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.986 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.8 OUTLIER -47.43 165.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' HD12 ' A' ' 32' ' ' LEU . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.08 39.29 16.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.986 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.9 153.83 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.426 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -128.26 104.32 7.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.815 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 7.2 t -99.71 134.12 43.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 108.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.713 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -118.1 150.56 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 108.262 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.785 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -129.81 -174.54 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.657 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 9.1 pttm -67.09 147.12 99.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.569 ' C ' HG21 ' A' ' 7' ' ' THR . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -28.29 106.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.16 58.53 1.08 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.69 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -138.35 -177.24 0.67 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.03 -54.5 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.606 HG12 ' N ' ' A' ' 7' ' ' THR . 2.0 t -75.5 -71.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.69 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.24 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -42.55 -31.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 108.291 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -74.47 -45.84 43.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' THR . 9.4 tptm -58.12 -16.63 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 6.4 m -93.94 -12.45 28.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.9 -0.5 57.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.791 ' HB2' ' CG ' ' A' ' 39' ' ' LYS . . . -64.23 152.82 39.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.968 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -101.48 156.44 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' SG ' HD21 ' A' ' 9' ' ' LEU . 58.4 m -106.23 119.63 39.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.968 ' CD2' HD12 ' A' ' 14' ' ' ILE . 1.2 p80 -142.19 107.53 5.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.598 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.874 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.97 70.72 5.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.051 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 174.83 -98.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.509 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 2.2 p90 -122.18 -172.43 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 90.99 26.41 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.368 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.23 16.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.537 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 74.82 173.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -71.3 13.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.649 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -79.77 163.15 24.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -157.95 155.15 28.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.363 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 1.031 ' O ' HG23 ' A' ' 27' ' ' ILE . 5.5 tp-100 176.59 -133.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.031 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 162.48 43.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -109.07 -168.07 20.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.787 HG22 ' H ' ' A' ' 30' ' ' CYS . 6.6 m -135.28 -166.23 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.787 ' H ' HG22 ' A' ' 29' ' ' THR . 6.1 t -144.44 -62.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -115.56 -148.35 9.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.928 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.57 -20.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.928 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.04 53.84 3.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.52 45.93 0.08 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.775 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.76 157.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 110.357 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -112.23 115.07 28.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.65 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 1.6 t -103.11 127.58 50.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 108.265 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.678 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 2.7 t -122.92 153.19 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.791 ' CG ' ' HB2' ' A' ' 13' ' ' ALA . 5.5 mtpt -139.73 -174.64 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.646 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 2.4 pttt -67.26 142.05 96.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.441 1.759 . . . . 0.0 110.978 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.435 ' O ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -38.23 158.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.81 69.71 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -147.59 -178.89 0.86 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.01 -50.98 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.606 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -78.29 -71.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.723 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -40.38 -25.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.379 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -44.5 -30.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -72.1 -40.31 68.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 7' ' ' THR . 3.2 tptm -56.35 -19.46 14.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.67 6.86 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.17 5.38 71.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.69 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -62.7 144.21 56.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.585 HD11 ' CB ' ' A' ' 38' ' ' CYS . 1.1 pp -93.54 162.68 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 27.1 m -113.01 114.02 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 24.7 m-70 -146.8 143.35 18.39 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.09 146.77 32.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.789 HG23 ' N ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 39.59 -159.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.789 ' N ' HG23 ' A' ' 18' ' ' VAL . 26.0 m-85 -33.86 140.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 p -107.01 141.07 22.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.347 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -74.97 -176.55 2.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER 66.53 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -78.82 22.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -65.85 -158.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -154.57 103.77 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.763 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -77.88 148.74 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -167.73 21.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.95 -168.15 12.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.814 HG22 ' H ' ' A' ' 30' ' ' CYS . 8.1 m -129.09 -166.03 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.952 ' O ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER 172.6 57.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.261 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.752 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . 146.95 152.33 5.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.844 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.09 -30.6 5.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.844 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.01 52.42 3.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 33.84 61.65 0.48 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.952 HG21 ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -63.63 164.24 10.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.376 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 4.0 mmmt -118.98 108.51 14.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.301 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 3.9 t -92.98 120.6 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.267 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.763 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -95.77 128.61 42.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.263 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.652 ' HG3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -115.2 168.23 10.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 12.8 tttt -65.7 137.2 96.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.489 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -33.21 106.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.73 64.44 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.706 ' OD2' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -134.56 -177.98 0.79 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -75.05 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.682 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 2.0 t -79.54 -74.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.706 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -38.5 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.37 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.552 ' N ' ' OD2' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -40.56 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.719 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -82.98 -45.49 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 11' ' ' SER . 29.9 tptt -40.23 -29.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.66 45.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -110.41 -36.47 1.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.995 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 168.93 167.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -66.8 162.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' HD23 ' A' ' 9' ' ' LEU . 22.3 m -112.47 113.37 25.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 12.0 m-70 -141.9 106.25 5.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.873 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.03 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.65 -96.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD1' ' HB ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -121.26 -149.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.4 102.55 4.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.31 8.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 64.56 170.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -77.2 21.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.71 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.43 -165.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -152.15 117.47 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.827 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.17 153.38 21.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.6 OUTLIER -169.89 21.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.87 -171.28 12.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.806 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.4 m -127.89 -167.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.81 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.9 t -137.53 -58.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -125.09 -146.86 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.911 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -88.53 -21.34 0.26 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.911 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.0 52.76 3.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 28.01 44.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.81 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -52.52 158.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.394 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 5.2 mmmt -116.17 110.0 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.995 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 t -94.9 116.28 28.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.995 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.2 t -108.23 134.76 50.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.632 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -118.27 175.65 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.22 138.36 97.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.51 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -32.26 107.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.12 65.58 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.633 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -113.26 -174.91 0.29 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.63 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.02 -65.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.1 t -73.63 -63.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.51 ' CG2' ' CG ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -43.15 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -44.79 -27.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.658 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.89 -47.62 13.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.604 ' O ' ' CB ' ' A' ' 11' ' ' SER . 10.3 tptt -38.63 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.604 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.9 p 150.87 42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -104.41 -40.12 2.28 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.978 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 169.74 161.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.662 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 pp -65.31 160.9 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.658 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.9 m -108.36 113.68 26.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 8.6 m-70 -140.92 107.44 6.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.901 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.98 75.74 3.6 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 171.95 -90.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.09 -159.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -134.03 99.15 13.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.49 16.27 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.8 mmp_? 73.54 169.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.24 19.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.771 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -68.58 -164.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -152.33 115.69 4.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.861 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.31 162.57 12.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER 176.2 24.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.81 -178.44 17.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.785 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.8 m -118.91 -167.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.911 ' HB3' HG21 ' A' ' 35' ' ' THR . 6.9 t -139.8 -107.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.7 -73.15 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.108 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.993 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.6 OUTLIER -47.34 161.31 0.32 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 124.78 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.38 44.7 7.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.993 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -82.79 154.11 24.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.396 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 16' ' ' HIS . 0.5 OUTLIER -118.76 105.27 11.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.978 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.4 t -99.89 114.49 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.968 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -103.19 136.9 42.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.294 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.682 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.13 169.85 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -63.57 138.41 97.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.572 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.663 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.663 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -13.76 115.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.52 63.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.665 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -132.19 -173.54 0.35 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.665 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -75.03 -35.85 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.7 t -92.97 -64.96 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.527 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -45.79 -29.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -43.71 -38.21 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.276 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.63 -46.5 25.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' O ' ' CB ' ' A' ' 11' ' ' SER . 28.2 tptt -39.32 -30.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.03 44.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' A' ' 8' ' ' CYS . . . -108.03 -40.1 1.74 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.998 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -173.04 159.79 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.2 pp -69.32 162.45 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.731 ' SG ' HD23 ' A' ' 9' ' ' LEU . 6.0 m -100.58 115.32 29.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' O ' ' HB3' ' A' ' 36' ' ' LYS . 34.0 m-70 -159.04 126.66 2.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.774 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.5 Cg_endo -74.95 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 17' ' ' PRO . 5.8 m 51.79 -155.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 18' ' ' VAL . 92.7 m-85 -48.86 -178.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -115.92 121.87 33.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.755 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.0 mmp_? 61.55 174.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.37 17.8 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.62 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -81.49 163.39 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.7 ttpp -159.95 161.84 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 1.02 ' O ' HG23 ' A' ' 27' ' ' ILE . 5.1 tp60 -179.77 -129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.02 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER 163.25 53.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . -125.04 -167.93 12.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.819 HG22 ' H ' ' A' ' 30' ' ' CYS . 7.6 m -131.4 -164.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.819 ' H ' HG22 ' A' ' 29' ' ' THR . 8.0 t -142.99 -67.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 108.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.648 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -116.32 -146.98 8.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.95 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -89.53 -20.06 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.95 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.98 53.22 3.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 29.48 42.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.762 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -53.35 170.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.76 ' C ' ' HD2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -124.25 131.01 53.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.998 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -110.09 119.66 40.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 108.301 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.85 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 1.5 t -107.0 163.86 12.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 10.8 tptp -159.44 174.97 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.8 134.23 95.16 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.548 1.814 . . . . 0.0 110.996 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.639 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -19.25 111.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.435 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 114.53 66.4 0.44 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.68 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -143.41 -172.97 0.34 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.677 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.9 -59.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' C ' ' N ' ' A' ' 8' ' ' CYS . 2.0 t -77.97 -60.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.616 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -44.72 -23.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.414 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.947 ' SG ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.93 -55.13 36.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 108.298 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.947 HD23 ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -71.29 -11.18 60.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.678 ' O ' ' CB ' ' A' ' 11' ' ' SER . 5.4 tptp -35.61 -39.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 5.1 t 142.9 76.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 -25.17 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.699 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -112.77 120.77 42.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.545 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -79.23 163.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.848 ' SG ' HD22 ' A' ' 9' ' ' LEU . 55.1 m -108.02 113.32 26.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.495 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 18.2 m-70 -147.39 143.84 18.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.06 148.18 34.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 19' ' ' PHE . 6.4 m 39.74 -156.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 18' ' ' VAL . 40.2 m-85 -35.44 154.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.59 138.74 22.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.04 175.55 11.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 70.35 165.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -76.7 20.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.709 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -69.81 -163.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 24.1 tttm -150.56 118.55 6.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -105.16 152.12 23.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.7 pp -171.49 24.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.44 -168.22 11.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -129.82 -168.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 110.435 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 1.069 ' HB3' HG21 ' A' ' 35' ' ' THR . 4.8 t -139.59 -95.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' H ' ' HB3' ' A' ' 30' ' ' CYS . . . -135.91 -54.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.924 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.2 pp -46.36 170.23 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.554 ' N ' HD12 ' A' ' 32' ' ' LEU . 18.4 Cg_endo -74.92 104.7 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.59 61.86 2.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.069 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -80.33 169.99 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 110.415 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.89 100.68 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.699 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 1.1 t -91.8 123.13 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 108.249 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.837 ' HA ' ' HA ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -107.91 142.5 37.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -139.16 -179.15 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.547 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 1.3 pttt -56.01 137.11 73.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.361 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.594 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -24.21 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.32 -4.87 4.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.721 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -137.72 179.45 1.34 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.58 ' HD2' ' CG ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -54.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.612 HG12 ' N ' ' A' ' 7' ' ' THR . 1.8 t -78.36 -70.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.721 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -38.67 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -48.5 -41.61 30.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.229 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -69.16 -27.64 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' THR . 7.1 tptt -53.05 -21.4 4.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -113.81 18.12 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.65 8.0 83.82 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.776 ' HB1' ' SG ' ' A' ' 37' ' ' CYS . . . -84.35 125.83 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.893 HD12 ' CD2' ' A' ' 16' ' ' HIS . 2.2 pt -90.11 163.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 5' ' ' PRO . 3.8 m -113.36 115.54 28.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.893 ' CD2' HD12 ' A' ' 14' ' ' ILE . 3.5 p80 -144.04 140.55 17.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.744 ' C ' HG23 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 161.86 38.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 64.86 -170.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' VAL . 36.0 p90 -45.89 174.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 114.5 64.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.4 Cg_endo -74.98 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 65.22 160.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 24' ' ' TYR . 3.2 mtp-105 -81.54 26.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.672 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.76 -149.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -152.38 175.3 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.84 ' O ' HD12 ' A' ' 27' ' ' ILE . 45.5 tp60 92.25 -106.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 86.57 43.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.644 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -107.33 140.46 15.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.3 m -40.69 178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.38 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.66 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 40.4 m -115.34 -57.84 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.628 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -134.36 -132.29 3.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.854 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -74.7 -28.62 0.84 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.854 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.05 163.62 34.86 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.58 35.07 1.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.66 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -51.24 172.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.392 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.763 ' CE ' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -139.33 96.58 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.776 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 38.3 t -91.15 128.47 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -124.15 136.65 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.729 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -118.43 172.42 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.89 141.04 97.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.608 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -23.07 127.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 0.728 . . . . 0.0 109.241 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' O ' HG23 ' A' ' 29' ' ' THR . . . 146.91 72.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.639 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -136.64 -174.5 0.41 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.639 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.99 -15.4 20.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 7' ' ' THR . 1.7 t -110.33 -64.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -48.55 -33.0 8.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 1.7 t -51.99 -38.33 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.77 -37.04 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -57.25 -31.14 65.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -87.6 -11.19 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.16 31.65 66.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.749 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -104.47 143.57 32.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.919 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -77.82 165.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.8 m -106.74 116.78 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 108.311 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.919 ' CD2' HD12 ' A' ' 14' ' ' ILE . 7.1 p80 -154.38 134.21 7.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.822 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.02 156.92 42.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.48 1.779 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 73.84 -169.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.713 ' N ' HG23 ' A' ' 18' ' ' VAL . 53.7 m-85 -49.02 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -108.48 119.51 49.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.97 170.17 21.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 62.06 166.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -77.53 21.01 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.789 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -61.27 -154.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 5.2 tttt -153.28 109.94 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.852 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.51 160.53 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER -179.18 19.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.36 -167.07 11.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -140.89 -163.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 29' ' ' THR . 1.8 t -126.89 -45.0 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 147.62 -30.67 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.741 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -51.57 -165.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.741 ' CD ' ' CB ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 73.87 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.56 66.79 1.83 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.602 HG21 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -78.08 170.34 16.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.419 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -132.65 111.04 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.749 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.2 t -98.13 120.7 39.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.789 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.7 t -117.82 137.43 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -124.66 -179.37 4.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 20.1 tttt -65.66 135.89 95.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -34.43 137.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.3 58.61 0.96 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.724 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -144.15 179.76 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.541 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.5 Cg_endo -74.98 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 7' ' ' THR . 1.7 t -77.9 -71.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.724 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -39.42 -26.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -41.21 -29.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.814 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -81.7 -45.79 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 11' ' ' SER . 7.3 tptm -39.36 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 2.1 t 153.27 44.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.574 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -107.03 -34.59 2.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 1.096 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . 171.21 170.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.927 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.2 pt -78.51 159.64 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.814 ' SG ' HD23 ' A' ' 9' ' ' LEU . 34.6 m -106.97 116.45 31.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.927 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.3 p80 -142.32 120.94 7.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.941 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.0 64.29 6.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 169.26 172.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -41.1 161.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.26 113.92 53.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 171.71 17.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' TYR . 1.9 mmp_? 56.13 171.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -76.79 21.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.753 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -58.59 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -152.19 116.04 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.871 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.28 152.25 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.871 HG23 ' O ' ' A' ' 26' ' ' GLN . 2.0 pp -167.49 19.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' C ' ' CB ' ' A' ' 37' ' ' CYS . . . -147.67 -170.54 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.878 HG22 ' H ' ' A' ' 30' ' ' CYS . 17.0 m -132.05 -160.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.878 ' H ' HG22 ' A' ' 29' ' ' THR . 4.1 t -106.3 -68.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 108.267 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.666 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -145.41 -121.76 1.45 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.839 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -71.79 -29.17 1.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.429 0.723 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.839 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.2 Cg_endo -75.03 151.72 39.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.76 37.65 1.25 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -51.63 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.383 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 25.9 mmmt -119.12 113.47 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.096 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 3.0 t -96.26 103.53 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.759 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.9 t -119.88 134.83 55.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -129.29 176.61 7.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.5 137.68 96.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -23.5 104.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.45 57.4 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.746 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -103.59 -172.97 0.27 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.669 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.4 Cg_endo -74.96 -82.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -78.14 -61.83 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.543 HG22 ' CG ' ' A' ' 4' ' ' ASP . 0.7 OUTLIER -37.39 -31.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.746 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 22.6 t -63.51 -58.59 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.834 HD23 ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -61.14 -25.42 66.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' O ' ' CB ' ' A' ' 11' ' ' SER . 26.7 tptt -50.99 -20.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.8 m 150.96 -15.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -58.64 -28.69 63.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 38' ' ' CYS . . . 178.01 -176.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.919 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -96.35 158.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.834 ' SG ' HD23 ' A' ' 9' ' ' LEU . 13.9 m -106.13 119.19 38.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.919 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.3 p80 -145.47 107.98 4.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.572 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.907 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.3 Cg_endo -74.97 80.66 2.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.907 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 173.86 -102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p90 -116.62 -174.08 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.508 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -117.81 85.85 23.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 108.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 -175.7 2.5 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER 65.37 168.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 110.242 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -69.57 10.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.711 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -80.22 164.74 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 3.4 tttt -156.55 162.45 39.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.846 ' O ' HD12 ' A' ' 27' ' ' ILE . 17.5 tp60 164.92 -76.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.1 mt 85.89 50.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.635 ' O ' ' CB ' ' A' ' 37' ' ' CYS . . . -123.3 118.14 3.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 28' ' ' GLY . 1.3 m -45.22 178.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' HD23 ' A' ' 9' ' ' LEU . 10.5 t -131.84 -40.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.534 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -143.78 -145.66 4.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.881 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -85.02 -26.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.04 49.2 2.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 25.56 44.42 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -52.68 173.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.374 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 5.4 mmmm -133.97 107.35 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.807 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.4 t -98.32 131.59 44.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.965 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 1.6 t -119.06 131.75 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.828 ' HB3' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -119.03 -179.16 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.592 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -65.64 142.47 98.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.53 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.53 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -29.09 114.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.8 -71.34 0.1 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.731 ' OD1' ' N ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -174.3 -177.74 0.34 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.1 Cg_endo -75.03 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 7' ' ' THR . 2.1 t -83.24 -72.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.731 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -39.42 -28.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -40.79 -32.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.99 -49.07 14.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.8 tptt -44.52 -26.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.3 m 157.18 71.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.565 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -143.91 -46.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.974 ' HB1' ' C ' ' A' ' 38' ' ' CYS . . . 172.13 174.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.949 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.2 pt -79.53 161.09 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' SG ' ' CD2' ' A' ' 9' ' ' LEU . 12.1 m -108.25 118.08 35.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.949 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.1 p80 -149.02 139.49 13.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.852 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.4 Cg_endo -75.03 149.45 36.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER 76.23 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.701 ' N ' HG23 ' A' ' 18' ' ' VAL . 5.5 p90 -50.5 -173.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -105.05 118.31 56.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 24' ' ' TYR . 3.1 mmp_? 60.02 166.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -77.36 20.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.373 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.783 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -59.49 -155.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 8.6 ttmt -151.71 108.21 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.87 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -99.8 155.27 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.87 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.6 pp -171.81 21.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -145.45 -170.15 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 1.025 HG23 ' O ' ' A' ' 35' ' ' THR . 5.9 m -137.71 -162.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.999 ' HB3' HG21 ' A' ' 35' ' ' THR . 1.6 t -133.99 -73.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.734 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -117.9 -145.7 7.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.975 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -91.39 -14.98 0.2 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.975 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.03 53.39 3.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 33' ' ' PRO . . . 30.67 40.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.025 ' O ' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -52.8 165.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.404 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 1.2 mmmm -131.93 115.21 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.945 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 4.7 t -100.47 116.84 33.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.974 ' C ' ' HB1' ' A' ' 13' ' ' ALA . 1.4 t -116.31 140.39 49.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -125.86 161.39 27.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 6.1 pttt -64.97 133.59 95.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.625 ' O ' ' O ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.625 ' O ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 47.06 170.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.576 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -118.33 -72.65 0.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -160.67 -172.97 0.35 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.646 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -75.04 -32.72 5.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 t -93.06 -59.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.537 ' CG2' ' OD1' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -50.27 -34.76 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.374 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 10.0 t -52.2 -33.19 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.348 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -69.3 -38.85 78.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -56.59 -26.82 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -81.49 2.69 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.85 8.19 60.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.631 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . -66.46 155.77 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.947 HD12 ' CD2' ' A' ' 16' ' ' HIS . 1.3 pt -111.35 161.18 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' HD21 ' A' ' 9' ' ' LEU . 15.1 m -107.79 118.21 36.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.947 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.7 p80 -146.47 105.63 4.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.866 ' O ' HG13 ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.03 78.22 2.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER 175.59 -99.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 26.7 m-85 -125.72 -178.74 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -110.98 98.65 39.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.7 mmp_? 65.69 170.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 23' ' ' ARG . 12.7 mtm105 -77.8 21.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.727 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -68.09 -164.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -150.83 119.17 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.54 156.39 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' GLN . 1.1 pt -169.8 17.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 -163.14 9.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.449 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -136.0 -172.8 3.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.408 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.543 ' HB2' ' CB ' ' A' ' 35' ' ' THR . 8.9 t -84.71 -71.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.566 ' C ' ' HD2' ' A' ' 33' ' ' PRO . . . -146.52 -112.23 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.828 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -72.17 -31.83 1.81 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.828 ' CD ' ' N ' ' A' ' 32' ' ' LEU . 18.4 Cg_endo -75.05 154.86 42.57 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.03 30.82 1.56 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.543 ' CB ' ' HB2' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -50.88 171.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.434 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -112.19 117.89 33.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.549 ' SG ' ' HB1' ' A' ' 13' ' ' ALA . 2.5 t -97.98 108.12 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.727 ' SG ' ' HB3' ' A' ' 24' ' ' TYR . 1.8 t -115.42 134.39 55.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 108.356 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -129.13 178.55 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 62.6 tttt -65.66 136.14 95.88 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 110.967 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.706 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.706 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.4 mt -7.5 101.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.493 ' O ' ' OD1' ' A' ' 4' ' ' ASP . . . -125.67 -72.38 0.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.708 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -160.01 -171.34 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' A' ' 4' ' ' ASP . 18.2 Cg_endo -74.98 -22.91 14.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 t -94.44 -61.08 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.524 ' HB ' ' OD2' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -56.16 -28.98 60.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -45.34 -27.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -83.94 -40.39 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' THR . 8.9 tptt -80.21 1.75 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -128.09 -46.71 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -102.87 -83.4 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.964 ' HB3' ' O ' ' A' ' 38' ' ' CYS . . . 176.16 -88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.857 HD12 ' CD2' ' A' ' 16' ' ' HIS . 4.7 pt -108.61 160.2 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -115.15 114.78 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.857 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.8 p80 -145.09 133.22 10.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.853 ' O ' HG22 ' A' ' 18' ' ' VAL . 18.1 Cg_endo -75.05 152.38 40.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.853 HG22 ' O ' ' A' ' 17' ' ' PRO . 0.8 OUTLIER 76.6 -167.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.746 ' N ' HG23 ' A' ' 18' ' ' VAL . 4.2 p90 -46.53 177.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.22 112.52 57.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 108.261 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 18.3 Cg_endo -74.98 171.27 18.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.54 ' C ' ' H ' ' A' ' 24' ' ' TYR . 2.9 mmp_? 67.12 169.76 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -68.77 10.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.698 ' CE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -72.15 163.93 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 4.6 mttp -153.91 156.73 38.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.835 ' HB3' ' HA ' ' A' ' 38' ' ' CYS . 1.2 tp-100 171.19 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.829 HD12 ' O ' ' A' ' 26' ' ' GLN . 1.2 mt 87.27 55.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.651 ' O ' ' O ' ' A' ' 29' ' ' THR . . . -134.31 118.77 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' ' O ' ' A' ' 28' ' ' GLY . 2.2 m -42.71 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.547 ' H ' HG22 ' A' ' 29' ' ' THR . 0.1 OUTLIER -143.71 -88.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.34 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.689 ' H ' HG21 ' A' ' 35' ' ' THR . . . -136.99 -70.01 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.085 ' HG ' HG23 ' A' ' 35' ' ' THR . 0.6 OUTLIER -43.64 169.63 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.784 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HD2' HD12 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -74.97 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.19 47.57 6.92 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.544 1.153 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.085 HG23 ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -76.86 158.52 30.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.421 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 8.8 mmmm -137.99 97.79 3.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 6.2 t -89.38 133.77 34.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.964 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.7 t -131.05 149.17 52.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.851 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -140.96 178.17 7.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.657 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -66.45 136.21 94.92 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -23.3 128.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.403 ' C ' ' OD1' ' A' ' 4' ' ' ASP . . . 143.71 74.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.736 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -136.34 -174.39 0.41 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.847 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.02 -8.77 20.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 7' ' ' THR . 1.6 t -118.32 -63.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.6 OUTLIER -52.06 -35.44 47.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.736 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 16.3 t -62.07 -35.64 79.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 108.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.995 HD22 ' SG ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -77.68 -45.32 25.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.593 ' O ' ' CB ' ' A' ' 11' ' ' SER . 3.5 tptp -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.593 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 1.5 m 152.35 44.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -108.9 -37.71 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.979 ' HB1' ' O ' ' A' ' 38' ' ' CYS . . . -176.53 171.72 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 pp -76.11 166.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.995 ' SG ' HD22 ' A' ' 9' ' ' LEU . 24.8 m -110.21 113.39 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 24.5 m-70 -149.84 146.42 20.49 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' VAL . 18.2 Cg_endo -75.01 150.52 38.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 19' ' ' PHE . 10.1 m 35.92 -150.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' N ' HG23 ' A' ' 18' ' ' VAL . 42.4 m-85 -38.78 159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 3.2 p -122.58 139.22 30.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 108.275 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.03 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER 66.46 164.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -76.69 20.2 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -69.93 -164.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 116.56 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.884 ' O ' HG23 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -102.24 159.41 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER 179.93 23.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.28 -170.95 12.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.748 HG22 ' OG1' ' A' ' 35' ' ' THR . 3.3 m -122.99 -169.4 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 1.072 ' HB3' HG21 ' A' ' 35' ' ' THR . 3.5 t -139.47 -42.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 32' ' ' LEU . . . 156.74 -52.29 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.065 ' HG ' HG23 ' A' ' 35' ' ' THR . 1.7 pp -46.59 177.05 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 18.5 Cg_endo -74.95 98.14 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.61 68.61 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.072 HG21 ' HB3' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -86.08 174.45 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 110.423 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 36' ' ' LYS . 2.6 mmmm -144.22 104.78 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.934 ' SG ' ' HB3' ' A' ' 13' ' ' ALA . 3.9 t -93.69 119.99 33.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 108.271 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.979 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -100.76 130.67 46.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 108.333 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.665 ' C ' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.99 173.65 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 13.7 tttt -56.53 141.17 72.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD3' ' CD1' ' A' ' 24' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 stop_ save_