data_2laq_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 2laq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt 68.48 8.92 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.599 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -59.62 -177.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 78.24 118.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -114.41 -16.66 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 -172.05 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.09 119.12 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.581 ' CD2' ' CE3' ' A' ' 32' ' ' TRP . 2.0 tp -77.0 -157.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -144.55 -96.09 0.21 Allowed Glycine 0 CA--C 1.531 1.044 0 CA-C-O 123.483 1.601 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.647 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -39.95 77.31 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 CA-C-O 113.726 -2.698 . . . . 0.0 117.628 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.647 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 95.95 28.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 121.721 2.055 . . . . 0.0 109.261 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.581 ' CE3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 107.963 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' TRP . 5.7 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -66.89 55.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.658 ' CZ2' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.34 -174.68 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.038 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 11.0 t 74.78 41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -73.46 -21.26 60.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -121.76 -172.03 2.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.67 123.66 19.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.658 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tp -94.13 -163.94 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.19 -99.46 0.14 Allowed Glycine 0 CA--C 1.529 0.937 0 CA-C-O 123.467 1.593 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.0 61.66 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.144 0 CA-C-O 113.727 -2.697 . . . . 0.0 117.586 -172.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 156.24 -21.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 121.775 2.08 . . . . 0.0 109.24 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 2.1 t-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.033 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 66.64 10.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.639 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.96 -175.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.639 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 42.3 t 68.56 40.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -73.56 -20.29 60.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 25' ' ' ARG . 1.9 mm? -117.75 -171.61 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.86 123.95 20.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.592 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -93.45 -164.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.47 -100.1 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 CA-C-O 123.457 1.587 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.597 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.32 61.56 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.821 -2.658 . . . . 0.0 117.634 -172.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.666 2.03 . . . . 0.0 109.316 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.405 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 1.6 t-105 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.06 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt 65.51 10.13 6.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -68.43 172.38 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 2.6 p 156.08 57.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -27.21 66.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.47 -171.86 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.61 101.22 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.13 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -109.44 -157.88 17.71 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 123.46 1.589 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD2' ' HA3' ' A' ' 29' ' ' GLY . 57.8 Cg_endo -52.67 66.1 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 CA-C-O 113.799 -2.667 . . . . 0.0 117.608 -172.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 174.03 -28.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 121.722 2.055 . . . . 0.0 109.27 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 61.53 14.45 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -53.64 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.627 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 70.49 100.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.76 -19.19 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.76 -171.38 2.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.67 122.99 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -93.27 -164.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.46 -99.92 0.16 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-O 123.492 1.607 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.599 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -57.84 61.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.141 0 CA-C-O 113.757 -2.685 . . . . 0.0 117.592 -172.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.37 -21.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 121.738 2.063 . . . . 0.0 109.265 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tttt 68.24 8.91 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.54 -175.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 63.26 117.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -114.84 -17.57 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -143.43 -170.67 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 -39.27 121.86 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -61.03 -155.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -122.1 -161.0 11.15 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 123.431 1.573 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.52 36.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 CA-C-O 113.816 -2.66 . . . . 0.0 117.612 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -168.86 31.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 121.684 2.038 . . . . 0.0 109.291 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' TRP . 37.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 49.52 23.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -51.66 170.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER 165.06 89.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -59.83 -25.14 64.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LEU . 7.4 mt -102.25 -149.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.7 m120 -37.95 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.659 ' CD2' ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -62.49 -155.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.436 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -146.81 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-O 123.511 1.617 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -58.11 23.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.168 0 CA-C-O 113.808 -2.664 . . . . 0.0 117.628 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 25.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 121.749 2.068 . . . . 0.0 109.34 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.659 ' CE3' ' CD2' ' A' ' 28' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER 48.33 24.19 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.542 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -52.04 173.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.996 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 0.7 OUTLIER 155.21 81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 108.276 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -114.02 -20.16 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.2 -171.7 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.31 111.91 8.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -80.36 -155.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -174.58 -106.55 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-O 123.488 1.604 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -58.04 59.69 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 CA-C-O 113.741 -2.691 . . . . 0.0 117.561 -172.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.607 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 154.92 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 121.759 2.072 . . . . 0.0 109.308 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CH2' ' HG2' ' A' ' 22' ' ' LYS . 1.5 t-105 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 108.006 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 25.6 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 5.3 pttt 48.84 22.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -72.12 -177.47 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 67.53 101.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -18.01 17.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -109.43 -168.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -74.6 118.55 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 32' ' ' TRP . 3.7 tp -88.46 -163.7 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.16 -100.03 0.15 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 123.551 1.639 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -57.19 61.44 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.106 0 CA-C-O 113.782 -2.674 . . . . 0.0 117.625 -172.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.609 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.24 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 121.718 2.054 . . . . 0.0 109.294 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 1.7 t-105 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 107.997 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 8.21 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -67.97 -175.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.636 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 67.98 96.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 108.32 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -20.78 22.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 7.9 mt -114.7 -169.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.27 122.48 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 32' ' ' TRP . 3.5 tp -83.09 -164.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -152.14 -103.81 0.25 Allowed Glycine 0 CA--C 1.53 1.027 0 CA-C-O 123.545 1.636 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.619 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -56.66 59.43 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.819 -2.659 . . . . 0.0 117.627 -172.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 154.18 -19.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.686 2.039 . . . . 0.0 109.279 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.465 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' TRP . 17.2 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CD ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 41.41 28.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.615 ' CH2' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.76 179.34 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 15.0 p -171.0 128.07 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.615 ' HA ' ' CH2' ' A' ' 23' ' ' TRP . 1.9 ttm105 -71.62 -12.77 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.411 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -116.37 -153.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.365 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -94.33 134.25 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 32' ' ' TRP . 1.9 tp -82.91 -170.6 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 109.0 -114.05 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 123.487 1.604 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.634 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.63 61.26 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 CA-C-O 113.784 -2.673 . . . . 0.0 117.579 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.634 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 151.88 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.667 2.03 . . . . 0.0 109.313 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.59 ' CD1' HD11 ' A' ' 28' ' ' LEU . 16.3 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 pttt 43.94 27.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.715 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -56.85 -167.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.964 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.715 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -39.49 101.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -113.71 -20.16 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -141.98 -170.96 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -46.82 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 24' ' ' CYS . 4.9 tp -66.68 -164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.35 -100.42 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 123.459 1.588 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.47 62.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 CA-C-O 113.743 -2.691 . . . . 0.0 117.569 -172.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.601 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.26 -21.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 121.841 2.11 . . . . 0.0 109.315 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 107.966 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 38.35 30.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.68 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -62.76 -175.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.001 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.68 ' O ' ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -107.59 90.95 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.591 ' HA ' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -82.44 -27.01 32.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.21 -171.44 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.228 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.82 97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 24' ' ' CYS . 5.2 tp -61.2 -164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -166.98 -100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 CA-C-O 123.479 1.6 . . . . 0.0 111.065 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.44 62.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.133 0 CA-C-O 113.734 -2.694 . . . . 0.0 117.554 -172.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 156.19 -21.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 121.811 2.096 . . . . 0.0 109.356 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 11.04 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -67.76 172.61 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.956 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.88 101.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 1.2 ttt180 -67.44 -18.59 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.71 -159.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.58 139.42 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HB3' ' CB ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -129.52 -158.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -106.98 -123.71 5.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 123.428 1.571 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.611 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -53.74 62.48 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-O 113.715 -2.702 . . . . 0.0 117.634 -172.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 154.63 -20.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 121.759 2.072 . . . . 0.0 109.318 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CB ' ' HB3' ' A' ' 28' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 107.996 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 11.69 5.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.526 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -69.23 174.05 5.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.059 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 1.8 p 157.91 67.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 11.1 ttt85 -92.98 -24.7 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.43 -171.49 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -42.32 115.54 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD22 ' CE3' ' A' ' 32' ' ' TRP . 5.3 tp -83.38 -163.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.53 -175.43 22.8 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 123.501 1.612 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -60.6 39.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.158 0 CA-C-O 113.817 -2.66 . . . . 0.0 117.636 -172.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.58 34.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.738 2.063 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CE3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.05 20.22 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.705 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -55.71 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.705 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 22.2 p 44.71 85.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -71.92 -20.42 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.14 -172.39 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.85 153.72 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -123.9 -162.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -173.38 3.3 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 123.446 1.581 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -60.98 39.44 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 CA-C-O 113.822 -2.657 . . . . 0.0 117.593 -172.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.98 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.742 2.064 . . . . 0.0 109.357 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 107.991 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt 62.12 13.01 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.634 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -64.96 -174.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' CZ2' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -100.62 82.96 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 108.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HA ' ' NE1' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -87.07 -29.37 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -144.91 -170.75 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.68 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.6 tp -66.65 -164.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.75 -100.13 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 123.478 1.599 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -56.89 61.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 CA-C-O 113.792 -2.67 . . . . 0.0 117.633 -172.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.603 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 121.686 2.039 . . . . 0.0 109.264 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CD1' ' SG ' ' A' ' 24' ' ' CYS . 1.7 t-105 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 5.5 mtpt 59.36 30.26 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -74.56 -176.04 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.995 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 1.2 m 166.98 130.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -47.53 -19.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 24' ' ' CYS . 4.9 mp -101.81 -168.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.86 119.83 33.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HG ' ' CB ' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -87.73 -165.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 93.54 -125.93 8.42 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 123.437 1.576 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.639 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.6 Cg_endo -50.67 61.49 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.174 0 CA-C-O 113.728 -2.697 . . . . 0.0 117.566 -172.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.639 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 151.59 -8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 121.744 2.066 . . . . 0.0 109.319 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.564 ' CB ' ' HG ' ' A' ' 28' ' ' LEU . 11.9 t-105 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' TRP . 1.6 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -66.86 56.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.668 ' CH2' ' CZ3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -86.54 178.38 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 108.079 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.58 ' C ' ' H ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 83.36 -163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -46.85 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.58 ' H ' ' C ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -56.36 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.99 61.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -103.96 -153.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 177.39 -106.77 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 CA-C-O 123.513 1.618 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.602 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.5 64.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 CA-C-O 113.693 -2.711 . . . . 0.0 117.582 -172.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.23 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.751 2.068 . . . . 0.0 109.306 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.668 ' CZ3' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t-105 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 107.981 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TRP . 55.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.79 25.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.704 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -55.6 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.976 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.704 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 22.1 p 44.46 74.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -105.14 -20.43 13.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.98 -167.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -77.16 72.53 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' N ' ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -54.66 -171.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -139.95 -145.38 4.67 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 123.452 1.584 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -49.45 4.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.104 0 CA-C-O 113.79 -2.671 . . . . 0.0 117.541 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -132.83 73.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 121.818 2.099 . . . . 0.0 109.345 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.677 ' CH2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.598 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 2.9 pt-20 -179.18 66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 93.5 m95 -162.02 146.28 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.468 1.604 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.2 87.28 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 CA-C-O 113.776 -2.677 . . . . 0.0 117.617 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 5' ' ' TRP . 48.6 p-90 -131.05 41.32 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.716 2.053 . . . . 0.0 108.0 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' ARG . 24.3 p30 -96.44 154.71 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.36 87.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -69.32 160.97 30.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.888 1.328 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . 0.487 ' C ' ' OG1' ' A' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.487 ' OG1' ' C ' ' A' ' 9' ' ' HYP . 3.2 m -153.81 -165.33 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.41 172.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER 38.69 82.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.233 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.57 169.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.859 1.314 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.479 ' HA ' HD23 ' A' ' 15' ' ' HYP . 0.3 OUTLIER 60.59 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 122.88 1.324 . . . . 0.0 109.319 172.147 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.486 ' O ' ' N ' ' A' ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -38.92 94.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 122.872 1.32 . . . . 0.0 109.96 172.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 5.5 t30 -68.51 -52.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.918 1.342 . . . . 0.0 109.334 172.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.55 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 38.7 52.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.311 172.154 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -150.41 99.58 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt 68.48 8.92 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.599 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -59.62 -177.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 78.24 118.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -114.41 -16.66 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 -172.05 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.09 119.12 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.581 ' CD2' ' CE3' ' A' ' 32' ' ' TRP . 2.0 tp -77.0 -157.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -144.55 -96.09 0.21 Allowed Glycine 0 CA--C 1.531 1.044 0 CA-C-O 123.483 1.601 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.647 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -39.95 77.31 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 CA-C-O 113.726 -2.698 . . . . 0.0 117.628 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.647 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 95.95 28.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 121.721 2.055 . . . . 0.0 109.261 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.581 ' CE3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.53 -154.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 107.963 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.75 130.65 3.71 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.07 -59.05 0.56 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' CYS . 1.2 mmm180 -70.0 -178.83 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.449 ' C ' ' NE1' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.401 ' C ' ' CD ' ' A' ' 2' ' ' GLU . 1.6 t90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 1' ' ' TRP . 8.0 pm0 42.57 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -113.75 148.05 38.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 123.483 1.611 . . . . 0.0 108.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.8 86.99 0.17 Allowed 'Trans proline' 0 CA--C 1.568 2.181 0 CA-C-O 113.752 -2.687 . . . . 0.0 117.559 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 5' ' ' TRP . 34.7 p-90 -154.63 49.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 121.742 2.064 . . . . 0.0 108.077 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 172.06 107.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 70.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.12 72.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.788 1.28 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LYS . 2.7 m -50.22 170.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.412 172.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER 38.69 84.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.08 168.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.893 1.33 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' HA ' HD23 ' A' ' 15' ' ' HYP . 0.6 OUTLIER -101.43 135.14 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.889 1.328 . . . . 0.0 109.254 172.171 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.445 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 160.33 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.848 1.309 . . . . 0.0 109.996 172.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -129.28 159.99 34.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.896 1.332 . . . . 0.0 109.293 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.493 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 38.59 30.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.317 172.129 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 19' ' ' HYP . 5.7 t0 -58.15 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -66.89 55.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.658 ' CZ2' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.34 -174.68 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.038 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 11.0 t 74.78 41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -73.46 -21.26 60.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -121.76 -172.03 2.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.67 123.66 19.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.658 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tp -94.13 -163.94 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.19 -99.46 0.14 Allowed Glycine 0 CA--C 1.529 0.937 0 CA-C-O 123.467 1.593 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.0 61.66 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.144 0 CA-C-O 113.727 -2.697 . . . . 0.0 117.586 -172.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 156.24 -21.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 121.775 2.08 . . . . 0.0 109.24 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.448 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 2.1 t-105 -130.55 -148.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.033 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' GLY . . . 178.95 -121.96 0.78 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . 36.65 -143.83 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -136.57 77.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.53 93.39 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.2 m95 65.47 146.25 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 123.457 1.599 . . . . 0.0 108.048 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.87 87.16 0.14 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 CA-C-O 113.781 -2.675 . . . . 0.0 117.588 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -141.81 -113.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 121.68 2.036 . . . . 0.0 108.006 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -164.54 159.32 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 48.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER 40.62 72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.845 1.307 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . 0.616 ' C ' ' CG2' ' A' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.616 ' CG2' ' C ' ' A' ' 9' ' ' HYP . 0.2 OUTLIER 46.51 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' N ' ' OG1' ' A' ' 10' ' ' THR . 8.3 tttt -133.38 54.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 0.9 OUTLIER 45.87 -177.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.846 1.308 . . . . 0.0 111.071 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.47 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CG2' HD22 ' A' ' 15' ' ' HYP . 3.0 mt -128.78 133.99 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.882 1.325 . . . . 0.0 109.348 172.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.464 HD22 ' CG2' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m 55.01 164.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.875 1.322 . . . . 0.0 110.029 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 2.1 t30 -68.81 -53.42 21.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.8 1.286 . . . . 0.0 109.222 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.538 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 40.87 54.33 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.349 172.199 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -149.65 100.22 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 66.64 10.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.639 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.96 -175.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.639 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 42.3 t 68.56 40.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -73.56 -20.29 60.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 25' ' ' ARG . 1.9 mm? -117.75 -171.61 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.86 123.95 20.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.592 ' CD1' ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -93.45 -164.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.47 -100.1 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 CA-C-O 123.457 1.587 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.597 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.32 61.56 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.821 -2.658 . . . . 0.0 117.634 -172.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.666 2.03 . . . . 0.0 109.316 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.405 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 1.6 t-105 -133.19 -148.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.06 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.26 130.02 2.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . 85.0 92.36 0.79 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 47.27 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 108.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -177.66 176.32 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -135.07 143.95 48.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.453 1.597 . . . . 0.0 108.019 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.08 85.54 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.178 0 CA-C-O 113.776 -2.677 . . . . 0.0 117.595 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.402 ' CE3' ' O ' ' A' ' 5' ' ' TRP . 28.0 p-90 -153.11 26.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 121.732 2.06 . . . . 0.0 108.012 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 61.58 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -81.42 55.11 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.95 77.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.798 1.285 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 2.4 p -71.76 135.03 46.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.442 172.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -144.83 59.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -134.18 171.0 14.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.878 1.323 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.416 ' CD ' ' HB2' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.486 ' HA ' HD23 ' A' ' 15' ' ' HYP . 13.4 tt -57.33 133.16 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.795 1.284 . . . . 0.0 109.326 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.486 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.1 OUTLIER -71.92 -53.58 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.913 1.34 . . . . 0.0 109.986 172.119 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.499 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.38 161.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.833 1.301 . . . . 0.0 109.318 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 178.16 36.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.281 172.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.55 123.34 24.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt 65.51 10.13 6.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -68.43 172.38 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 2.6 p 156.08 57.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -27.21 66.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.47 -171.86 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.631 ' ND2' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -77.61 101.22 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.13 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -109.44 -157.88 17.71 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 123.46 1.589 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.405 ' HD2' ' HA3' ' A' ' 29' ' ' GLY . 57.8 Cg_endo -52.67 66.1 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 CA-C-O 113.799 -2.667 . . . . 0.0 117.608 -172.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 174.03 -28.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 121.722 2.055 . . . . 0.0 109.27 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.05 -150.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . 174.26 124.19 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.631 ' H ' ' ND2' ' A' ' 27' ' ' ASN . . . -37.87 -30.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' GLY . 1.9 tpt180 -64.36 75.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 0.809 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 26.0 t90 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.52 58.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -81.32 146.5 58.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.414 1.578 . . . . 0.0 108.045 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.08 87.11 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 CA-C-O 113.757 -2.684 . . . . 0.0 117.621 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -129.4 -114.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 121.727 2.058 . . . . 0.0 107.969 179.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.3 t-20 57.59 108.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -116.47 66.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.69 81.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.795 1.283 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.2 m -90.79 179.65 5.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.408 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -140.23 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -44.45 169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.823 1.297 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.506 ' C ' ' CG1' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.506 ' CG1' ' C ' ' A' ' 13' ' ' HYP . 1.6 mt -148.19 134.85 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.9 1.333 . . . . 0.0 109.273 172.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.481 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.515 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.0 OUTLIER 168.36 -52.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.904 1.335 . . . . 0.0 110.04 172.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.515 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -130.49 91.07 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.793 1.282 . . . . 0.0 109.344 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.61 27.42 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.339 172.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -93.68 101.39 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 61.53 14.45 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -53.64 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.627 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 70.49 100.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.76 -19.19 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -128.76 -171.38 2.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.67 122.99 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -93.27 -164.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.46 -99.92 0.16 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-O 123.492 1.607 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.599 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -57.84 61.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.141 0 CA-C-O 113.757 -2.685 . . . . 0.0 117.592 -172.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.37 -21.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 121.738 2.063 . . . . 0.0 109.265 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -137.5 -148.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.88 130.25 3.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.98 -126.93 8.47 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 86.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.259 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.49 112.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.448 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -63.61 159.74 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 123.507 1.622 . . . . 0.0 107.968 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.446 ' HD2' ' CB ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -61.29 -88.67 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 CA-C-O 113.827 -2.655 . . . . 0.0 117.61 -172.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m95 68.85 95.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 121.705 2.048 . . . . 0.0 107.949 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.88 172.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -130.03 82.95 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 160.73 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.846 1.308 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -147.68 -178.31 6.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.481 172.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 136.62 52.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -120.51 167.31 12.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.901 1.334 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 60.78 136.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 122.798 1.285 . . . . 0.0 109.35 172.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m 69.46 164.07 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.878 1.323 . . . . 0.0 110.004 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.1 t-20 -66.21 -51.53 56.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.873 1.32 . . . . 0.0 109.291 172.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 4.4 ttt180 38.65 53.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.239 172.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 100.28 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tttt 68.24 8.91 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.54 -175.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 63.26 117.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -114.84 -17.57 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -143.43 -170.67 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 -39.27 121.86 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -61.03 -155.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -122.1 -161.0 11.15 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 123.431 1.573 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.52 36.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 CA-C-O 113.816 -2.66 . . . . 0.0 117.612 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -168.86 31.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 121.684 2.038 . . . . 0.0 109.291 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -141.46 -154.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.82 -131.35 5.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -113.93 146.13 18.56 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER 47.02 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 2' ' ' GLU . 31.7 p-90 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -50.73 112.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 110.238 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.512 ' NE1' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -134.69 140.18 34.64 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 123.492 1.615 . . . . 0.0 108.034 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.43 10.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 CA-C-O 113.754 -2.686 . . . . 0.0 117.574 -172.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.512 ' CD1' ' NE1' ' A' ' 3' ' ' TRP . 8.8 m95 41.86 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 121.761 2.073 . . . . 0.0 107.984 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ARG . 33.9 p-10 -82.57 168.06 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.32 89.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.25 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -107.76 160.88 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.867 1.318 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.0 m -114.4 177.91 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.449 172.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.34 155.97 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -122.03 170.5 9.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.82 1.295 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' HA ' HD23 ' A' ' 15' ' ' HYP . 0.6 OUTLIER -76.26 134.97 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.834 1.302 . . . . 0.0 109.345 172.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.466 ' CB ' HD22 ' A' ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.549 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.2 OUTLIER -64.2 -50.5 67.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.846 1.307 . . . . 0.0 109.983 172.122 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.549 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' HYP . 3.7 m-80 -106.22 168.97 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.838 1.304 . . . . 0.0 109.347 172.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.526 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 1.4 ttp85 38.24 30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.307 172.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 19' ' ' HYP . 37.5 m-20 -75.36 97.97 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 49.52 23.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -51.66 170.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER 165.06 89.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -59.83 -25.14 64.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LEU . 7.4 mt -102.25 -149.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 10.7 m120 -37.95 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.659 ' CD2' ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -62.49 -155.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -146.81 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-O 123.511 1.617 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -58.11 23.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.168 0 CA-C-O 113.808 -2.664 . . . . 0.0 117.628 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 25.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 121.749 2.068 . . . . 0.0 109.34 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.659 ' CE3' ' CD2' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -147.92 -143.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.85 112.66 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.59 -105.14 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 169.33 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 32.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.324 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.6 m95 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -39.1 148.79 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.4 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -144.26 59.41 6.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 123.406 1.574 . . . . 0.0 108.011 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -63.72 86.95 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.169 0 CA-C-O 113.823 -2.657 . . . . 0.0 117.555 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' CE3' ' A' ' 5' ' ' TRP . 43.5 p-90 -165.37 47.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 121.711 2.051 . . . . 0.0 107.996 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ARG . 43.9 m-20 -126.26 -177.06 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.36 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 46.25 85.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.86 1.314 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.491 ' OG1' ' CE2' ' A' ' 12' ' ' PHE . 1.9 p -59.23 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -110.64 85.93 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CE2' ' OG1' ' A' ' 10' ' ' THR . 0.2 OUTLIER -123.23 167.08 14.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.855 1.312 . . . . 0.0 111.064 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mt -94.26 134.76 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 122.893 1.33 . . . . 0.0 109.284 172.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m 55.56 165.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.895 1.331 . . . . 0.0 110.005 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' CG ' ' CD ' ' A' ' 19' ' ' HYP . 2.6 t30 -173.82 171.69 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.806 1.288 . . . . 0.0 109.321 172.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.421 ' CD ' ' CG ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -106.36 28.11 8.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -75.44 96.97 3.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER 48.33 24.19 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.542 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -52.04 173.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.996 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 0.7 OUTLIER 155.21 81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 108.276 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -114.02 -20.16 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.2 -171.7 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.31 111.91 8.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -80.36 -155.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -174.58 -106.55 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-O 123.488 1.604 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.607 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -58.04 59.69 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 CA-C-O 113.741 -2.691 . . . . 0.0 117.561 -172.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.607 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 154.92 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 121.759 2.072 . . . . 0.0 109.308 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CH2' ' HG2' ' A' ' 22' ' ' LYS . 1.5 t-105 -128.6 -147.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . . . 179.68 124.06 0.87 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -36.56 155.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.13 74.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.734 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 13.5 p90 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.584 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 6.3 pt-20 -171.83 144.14 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -163.25 162.18 17.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 123.488 1.613 . . . . 0.0 107.973 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.579 ' O ' ' CD1' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.76 -97.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.147 0 CA-C-O 113.789 -2.671 . . . . 0.0 117.585 -172.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 4' ' ' PRO . 34.6 p-90 44.78 49.95 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 121.681 2.037 . . . . 0.0 108.008 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -121.96 80.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.504 ' O ' ' CD ' ' A' ' 9' ' ' HYP . 0.1 OUTLIER -151.59 88.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.824 1.297 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . 0.504 ' CD ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . 2.7 m -83.26 169.9 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 172.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' THR . 8.6 tttp 38.7 85.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -43.12 168.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.879 1.323 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 60.6 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.847 1.308 . . . . 0.0 109.262 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -56.61 163.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.847 1.308 . . . . 0.0 110.045 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.404 ' O ' ' O ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HYP . 25.2 t-20 40.32 91.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.829 1.299 . . . . 0.0 109.312 172.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -132.39 23.81 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 172.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 25.6 t0 -104.2 125.8 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 5.3 pttt 48.84 22.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -72.12 -177.47 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 67.53 101.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -18.01 17.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -109.43 -168.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -74.6 118.55 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 32' ' ' TRP . 3.7 tp -88.46 -163.7 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.16 -100.03 0.15 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 123.551 1.639 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -57.19 61.44 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.106 0 CA-C-O 113.782 -2.674 . . . . 0.0 117.625 -172.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.609 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.24 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 121.718 2.054 . . . . 0.0 109.294 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 1.7 t-105 -135.42 -147.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 107.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 129.88 3.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.88 -153.45 17.62 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -60.97 102.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.362 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.543 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 2.5 m-90 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 1' ' ' TRP . 9.4 pt-20 42.21 54.48 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.23 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 1' ' ' TRP . 54.1 m95 -128.74 65.31 72.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 123.531 1.634 . . . . 0.0 108.05 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.94 91.27 0.17 Allowed 'Trans proline' 0 CA--C 1.567 2.151 0 CA-C-O 113.735 -2.694 . . . . 0.0 117.633 -172.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -90.78 45.86 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 121.795 2.089 . . . . 0.0 107.978 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -125.69 119.51 28.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 83.24 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 66.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.924 1.345 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -115.15 173.22 6.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.44 172.12 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -140.15 56.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.633 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 1.1 m-30 -59.79 -72.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.855 1.312 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.633 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.467 ' HA ' HD23 ' A' ' 15' ' ' HYP . 0.2 OUTLIER -121.76 134.89 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.876 1.322 . . . . 0.0 109.334 172.044 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.497 ' O ' ' CD ' ' A' ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.17 93.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.82 1.295 . . . . 0.0 110.017 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.497 ' CD ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -172.15 140.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.894 1.331 . . . . 0.0 109.26 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.04 36.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 172.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.19 114.2 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 8.21 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -67.97 -175.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.636 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 67.98 96.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 108.32 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -20.78 22.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 7.9 mt -114.7 -169.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.27 122.48 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 32' ' ' TRP . 3.5 tp -83.09 -164.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -152.14 -103.81 0.25 Allowed Glycine 0 CA--C 1.53 1.027 0 CA-C-O 123.545 1.636 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.619 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -56.66 59.43 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.819 -2.659 . . . . 0.0 117.627 -172.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 154.18 -19.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.686 2.039 . . . . 0.0 109.279 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.465 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -139.01 -147.03 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -155.13 -127.82 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.85 -166.24 16.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 39.45 76.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 110.339 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 16.3 m0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.45 123.39 25.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.447 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -49.03 148.68 3.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 123.514 1.626 . . . . 0.0 108.008 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.66 28.52 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 CA-C-O 113.778 -2.676 . . . . 0.0 117.563 -172.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -80.56 -23.11 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 121.806 2.094 . . . . 0.0 108.036 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 40.43 56.43 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.95 49.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 80.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.857 1.313 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.447 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 16.5 m -143.64 175.46 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.357 172.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 107.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -116.01 168.74 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.807 1.289 . . . . 0.0 111.042 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.422 ' HA ' HD23 ' A' ' 15' ' ' HYP . 2.8 mm -97.22 134.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 122.889 1.328 . . . . 0.0 109.294 172.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.422 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.4 m -147.8 84.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.855 1.312 . . . . 0.0 109.996 172.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.506 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 0.9 OUTLIER -74.72 -57.96 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.849 1.309 . . . . 0.0 109.301 172.142 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.506 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 43.16 47.23 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.28 172.126 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' TRP . 17.2 t0 -100.16 123.32 44.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CD ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 41.41 28.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.615 ' CH2' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.76 179.34 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 15.0 p -171.0 128.07 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.615 ' HA ' ' CH2' ' A' ' 23' ' ' TRP . 1.9 ttm105 -71.62 -12.77 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -116.37 -153.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.365 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -94.33 134.25 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 32' ' ' TRP . 1.9 tp -82.91 -170.6 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 109.0 -114.05 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 123.487 1.604 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.634 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.63 61.26 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 CA-C-O 113.784 -2.673 . . . . 0.0 117.579 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.634 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 151.88 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.667 2.03 . . . . 0.0 109.313 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.59 ' CD1' HD11 ' A' ' 28' ' ' LEU . 16.3 t-105 -120.74 -144.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.41 127.53 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.83 -128.56 3.03 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -141.6 103.9 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 110.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.477 ' CB ' HD21 ' A' ' 28' ' ' LEU . 50.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.94 138.42 54.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -57.48 146.49 63.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.387 1.565 . . . . 0.0 108.065 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.25 87.25 0.16 Allowed 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.814 -2.661 . . . . 0.0 117.6 -172.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 5' ' ' TRP . 36.1 p-90 -175.5 49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.748 2.067 . . . . 0.0 107.975 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' ARG . 7.7 p30 -104.2 126.77 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 35.97 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' CG ' HD22 ' A' ' 9' ' ' HYP . 2.1 ttmt -40.82 139.22 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.873 1.32 . . . . 0.0 109.229 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . 0.462 HD22 ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.1 m -88.4 177.9 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.402 172.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 119.58 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 13.8 m-85 -65.05 171.89 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.82 1.295 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.482 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' CG2' HD22 ' A' ' 15' ' ' HYP . 19.0 mt -43.83 134.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 122.884 1.326 . . . . 0.0 109.279 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.44 HD22 ' CG2' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER 176.1 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.87 1.319 . . . . 0.0 110.03 172.134 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.497 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -117.53 165.48 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.928 1.346 . . . . 0.0 109.286 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.486 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 15.9 ttp180 37.55 33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 172.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 19' ' ' HYP . 4.3 m-20 -68.61 99.48 1.0 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 pttt 43.94 27.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.715 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -56.85 -167.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.964 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.715 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -39.49 101.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -113.71 -20.16 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -141.98 -170.96 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -46.82 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 24' ' ' CYS . 4.9 tp -66.68 -164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.35 -100.42 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 123.459 1.588 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.47 62.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 CA-C-O 113.743 -2.691 . . . . 0.0 117.569 -172.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.601 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.26 -21.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 121.841 2.11 . . . . 0.0 109.315 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -120.52 -149.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 107.966 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.28 -129.78 2.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.31 -78.75 0.43 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.13 178.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' C ' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.309 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -161.74 31.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -48.6 146.57 4.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 123.411 1.577 . . . . 0.0 108.076 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.45 85.27 0.16 Allowed 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.764 -2.682 . . . . 0.0 117.596 -172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -125.27 -114.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 121.758 2.072 . . . . 0.0 108.045 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -81.23 163.09 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -112.04 58.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.38 161.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.808 1.289 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.2 m -58.29 177.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.446 172.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.17 157.52 29.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -42.35 167.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.856 1.313 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 tp -49.6 132.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.834 1.302 . . . . 0.0 109.33 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER -175.39 177.87 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.907 1.337 . . . . 0.0 109.926 172.103 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.524 ' CD ' ' CB ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.451 ' HB3' ' CD ' ' A' ' 19' ' ' HYP . 56.7 m-80 -101.21 170.51 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.822 1.296 . . . . 0.0 109.302 172.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.451 ' CD ' ' HB3' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -157.22 25.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.265 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -76.87 116.48 17.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 38.35 30.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.68 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -62.76 -175.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.001 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.68 ' O ' ' CZ2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -107.59 90.95 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.591 ' HA ' ' CZ2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -82.44 -27.01 32.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.21 -171.44 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.228 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.82 97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 24' ' ' CYS . 5.2 tp -61.2 -164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -166.98 -100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 CA-C-O 123.479 1.6 . . . . 0.0 111.065 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.44 62.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.133 0 CA-C-O 113.734 -2.694 . . . . 0.0 117.554 -172.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 156.19 -21.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 121.811 2.096 . . . . 0.0 109.356 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -127.69 -147.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.42 -130.2 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 35' ' ' ARG . . . -89.14 -150.25 22.07 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER 49.42 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 5.6 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.1 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -129.07 117.0 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -127.63 66.04 68.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 123.514 1.625 . . . . 0.0 107.955 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.81 14.62 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 CA-C-O 113.686 -2.714 . . . . 0.0 117.547 -172.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 1.8 m0 88.85 -16.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 121.821 2.101 . . . . 0.0 108.025 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' ARG . 20.1 p-10 -43.47 126.61 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.19 84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.332 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' N ' HD23 ' A' ' 9' ' ' HYP . 1.4 tmtp? -138.47 66.39 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.885 1.326 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . 0.404 HD23 ' N ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -117.15 173.27 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 172.121 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' N ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -72.52 96.81 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 9.4 m-85 -73.04 173.14 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.877 1.322 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.452 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' CG2' HD22 ' A' ' 15' ' ' HYP . 3.3 mt -41.97 134.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.873 1.32 . . . . 0.0 109.288 172.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.481 ' O ' ' N ' ' A' ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.73 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.881 1.324 . . . . 0.0 109.999 172.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.481 ' N ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.673 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 6.0 t-20 158.79 -42.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.823 1.297 . . . . 0.0 109.253 172.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.673 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -139.53 27.22 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 172.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.12 124.16 28.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 11.04 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -67.76 172.61 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.956 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.88 101.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 1.2 ttt180 -67.44 -18.59 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.71 -159.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.58 139.42 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HB3' ' CB ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -129.52 -158.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -106.98 -123.71 5.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 123.428 1.571 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.611 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -53.74 62.48 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-O 113.715 -2.702 . . . . 0.0 117.634 -172.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 154.63 -20.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 121.759 2.072 . . . . 0.0 109.318 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CB ' ' HB3' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -119.73 -147.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 107.996 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.92 -123.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 28' ' ' LEU . . . -139.1 106.83 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 3.6 tpt180 59.98 148.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.604 0.826 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 1' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.25 49.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.452 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -66.09 156.86 83.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 123.497 1.618 . . . . 0.0 108.01 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.05 27.76 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 CA-C-O 113.752 -2.687 . . . . 0.0 117.652 -172.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 3' ' ' TRP . 1.3 p-90 -124.99 -114.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 121.711 2.05 . . . . 0.0 108.068 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.0 t30 66.84 179.52 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -87.64 48.47 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.46 160.42 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.805 1.288 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -95.85 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.464 172.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -86.03 54.94 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.634 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 1.7 m-85 -60.09 -72.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.815 1.293 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.634 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.431 ' HA ' HD23 ' A' ' 15' ' ' HYP . 1.0 OUTLIER -95.2 134.98 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.825 1.298 . . . . 0.0 109.264 172.195 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.431 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.73 170.09 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.87 1.319 . . . . 0.0 110.012 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.0 OUTLIER 171.02 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.846 1.307 . . . . 0.0 109.318 172.154 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.545 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' C ' ' O ' ' A' ' 19' ' ' HYP . 9.7 ptt85 27.21 46.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.337 172.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' HYP . 0.0 OUTLIER -127.17 122.36 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 11.69 5.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.526 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -69.23 174.05 5.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.059 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 1.8 p 157.91 67.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 11.1 ttt85 -92.98 -24.7 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.43 -171.49 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -42.32 115.54 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD22 ' CE3' ' A' ' 32' ' ' TRP . 5.3 tp -83.38 -163.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.53 -175.43 22.8 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 123.501 1.612 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -60.6 39.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.158 0 CA-C-O 113.817 -2.66 . . . . 0.0 117.636 -172.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.58 34.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.738 2.063 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CE3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -140.57 -154.21 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 107.996 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.34 130.61 4.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 -109.46 3.08 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 93.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.507 ' C ' ' CD1' ' A' ' 32' ' ' TRP . 1.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 4' ' ' PRO . 9.9 pt-20 -179.7 171.41 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' GLU . 41.3 m95 -42.47 99.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 123.505 1.621 . . . . 0.0 107.998 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 2' ' ' GLU . 57.8 Cg_endo -62.59 88.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.135 0 CA-C-O 113.739 -2.692 . . . . 0.0 117.62 -172.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -132.64 -114.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 121.773 2.079 . . . . 0.0 108.076 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -178.78 65.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -154.97 96.8 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -136.62 68.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.878 1.323 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -114.09 173.35 6.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.431 172.147 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -66.55 118.62 10.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 0.1 OUTLIER 162.31 -78.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.841 1.305 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.566 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.437 ' CG2' HD22 ' A' ' 15' ' ' HYP . 23.3 mm -117.22 134.58 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 122.832 1.301 . . . . 0.0 109.337 172.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.437 HD22 ' CG2' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p 54.92 167.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.819 1.295 . . . . 0.0 109.999 172.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.555 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.6 t-20 168.81 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.857 1.313 . . . . 0.0 109.312 172.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.571 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.571 ' C ' ' O ' ' A' ' 19' ' ' HYP . 0.4 OUTLIER 24.35 49.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.23 172.143 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' HYP . 3.2 m-20 -85.87 92.79 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.05 20.22 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.705 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -55.71 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.705 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 22.2 p 44.71 85.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -71.92 -20.42 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.14 -172.39 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.85 153.72 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -123.9 -162.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -173.38 3.3 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 123.446 1.581 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -60.98 39.44 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 CA-C-O 113.822 -2.657 . . . . 0.0 117.593 -172.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.98 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.742 2.064 . . . . 0.0 109.357 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -143.44 -153.52 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 107.991 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.59 129.41 6.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' CYS . . . 86.14 -125.45 7.36 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -50.51 91.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 43.58 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.421 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -57.76 146.66 65.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 123.397 1.57 . . . . 0.0 108.039 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 6' ' ' ASN . 57.9 Cg_endo -66.78 21.14 0.1 OUTLIER 'Trans proline' 0 CA--C 1.566 2.085 0 CA-C-O 113.813 -2.661 . . . . 0.0 117.632 -172.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 41.8 30.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 121.764 2.074 . . . . 0.0 107.949 179.632 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.452 ' N ' ' C ' ' A' ' 4' ' ' PRO . 1.5 m-20 -42.11 116.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' ASN . 5.0 ttt85 36.31 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 70.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.833 1.301 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.575 ' HB ' ' CD2' ' A' ' 12' ' ' PHE . 29.9 p -61.32 139.74 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.413 172.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -70.31 59.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 12.1 m-85 -144.95 171.38 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.837 1.303 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.5 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 1.2 mm -87.04 134.88 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 122.814 1.292 . . . . 0.0 109.344 172.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.44 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' HYP . 0.4 OUTLIER 164.3 166.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.771 1.272 . . . . 0.0 110.035 172.14 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.558 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.0 OUTLIER 167.89 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.936 1.35 . . . . 0.0 109.254 172.135 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.558 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.93 22.86 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.287 172.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -114.44 124.09 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt 62.12 13.01 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.634 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -64.96 -174.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' CZ2' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -100.62 82.96 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 108.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HA ' ' NE1' ' A' ' 23' ' ' TRP . 0.3 OUTLIER -87.07 -29.37 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -144.91 -170.75 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.68 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.6 tp -66.65 -164.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.75 -100.13 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 123.478 1.599 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -56.89 61.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 CA-C-O 113.792 -2.67 . . . . 0.0 117.633 -172.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.603 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 121.686 2.039 . . . . 0.0 109.264 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CD1' ' SG ' ' A' ' 24' ' ' CYS . 1.7 t-105 -130.19 -148.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.36 130.87 3.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.77 123.82 0.28 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 42.74 74.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 39.24 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.441 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 8.1 p90 -134.12 57.44 24.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.411 1.577 . . . . 0.0 108.005 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -63.82 27.89 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 CA-C-O 113.768 -2.68 . . . . 0.0 117.578 -172.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -106.7 -113.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 121.797 2.09 . . . . 0.0 107.979 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.2 m120 58.52 81.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.57 57.12 3.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.842 1.306 . . . . 0.0 109.372 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -65.85 173.13 3.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.342 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -95.79 59.85 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.04 168.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.873 1.32 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' HA ' HD23 ' A' ' 15' ' ' HYP . 9.0 tt -63.43 133.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.828 1.299 . . . . 0.0 109.295 172.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.457 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.501 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.2 OUTLIER -68.44 -52.94 27.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.871 1.32 . . . . 0.0 109.968 172.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.501 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.43 165.85 11.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.866 1.317 . . . . 0.0 109.34 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.537 ' HD2' ' CD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER 37.78 43.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.282 172.03 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 5.5 mtpt 59.36 30.26 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -74.56 -176.04 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.995 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 1.2 m 166.98 130.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -47.53 -19.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 24' ' ' CYS . 4.9 mp -101.81 -168.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.86 119.83 33.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HG ' ' CB ' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -87.73 -165.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 93.54 -125.93 8.42 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 123.437 1.576 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.639 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.6 Cg_endo -50.67 61.49 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.174 0 CA-C-O 113.728 -2.697 . . . . 0.0 117.566 -172.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.639 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 151.59 -8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 121.744 2.066 . . . . 0.0 109.319 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.564 ' CB ' ' HG ' ' A' ' 28' ' ' LEU . 11.9 t-105 -110.82 -155.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 34' ' ' GLY . . . 146.52 -122.11 1.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . 23.63 -100.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' CYS . 5.9 tmm_? 172.78 120.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.287 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.6 m0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 39.91 50.06 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 80.9 m95 65.33 148.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 123.526 1.631 . . . . 0.0 107.987 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.8 87.09 0.17 Allowed 'Trans proline' 0 CA--C 1.567 2.164 0 CA-C-O 113.767 -2.681 . . . . 0.0 117.571 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -103.96 -113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 121.798 2.09 . . . . 0.0 107.996 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -89.92 47.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -150.73 67.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -79.5 161.58 25.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.828 1.299 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 m -86.39 178.45 7.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.358 172.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -139.82 140.55 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -124.42 173.31 8.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.847 1.308 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.441 ' CG2' HD22 ' A' ' 15' ' ' HYP . 26.7 mt -130.54 134.53 62.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.921 1.343 . . . . 0.0 109.295 172.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.441 HD22 ' CG2' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.505 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER -70.14 -53.74 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.883 1.325 . . . . 0.0 110.066 172.127 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . 0.505 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 0.6 OUTLIER 168.84 -51.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.891 1.329 . . . . 0.0 109.367 172.192 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.0 ttt-85 38.04 33.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.337 172.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' TRP . 1.6 t70 -58.63 -153.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -66.86 56.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.668 ' CH2' ' CZ3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -86.54 178.38 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 108.079 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.58 ' C ' ' H ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 83.36 -163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -46.85 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.58 ' H ' ' C ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -56.36 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.99 61.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -103.96 -153.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 177.39 -106.77 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 CA-C-O 123.513 1.618 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.602 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.5 64.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 CA-C-O 113.693 -2.711 . . . . 0.0 117.582 -172.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 30' ' ' PRO . . . 155.23 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.751 2.068 . . . . 0.0 109.306 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.668 ' CZ3' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t-105 -125.66 -147.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 107.981 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.84 5.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.7 -81.0 0.36 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' CA ' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -134.3 163.19 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 25' ' ' ARG . 15.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.89 135.54 39.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.451 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 4.9 p90 -149.77 55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 123.43 1.586 . . . . 0.0 108.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.9 Cg_endo -61.52 72.42 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.842 -2.649 . . . . 0.0 117.617 -172.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.43 ' O ' ' CD1' ' A' ' 5' ' ' TRP . 29.7 p90 -176.17 39.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 121.693 2.042 . . . . 0.0 108.028 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -177.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.57 58.03 1.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -130.07 84.6 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.918 1.342 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.7 m -113.62 179.0 4.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.466 172.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 12' ' ' PHE . 7.4 tttt -138.44 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.469 ' CB ' ' CD ' ' A' ' 13' ' ' HYP . 1.2 m-85 46.0 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.826 1.298 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . 0.469 ' CD ' ' CB ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' HA ' HD23 ' A' ' 15' ' ' HYP . 20.8 tt -82.86 133.8 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 122.839 1.304 . . . . 0.0 109.306 172.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HYP . . . . . 0.443 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -141.83 82.28 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.875 1.322 . . . . 0.0 110.003 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.84 171.72 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.899 1.333 . . . . 0.0 109.234 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.78 27.19 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 172.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TRP . 55.3 m-20 -84.14 95.89 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.79 25.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.704 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -55.6 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.976 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.704 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 22.1 p 44.46 74.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -105.14 -20.43 13.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.98 -167.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -77.16 72.53 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' N ' ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -54.66 -171.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -139.95 -145.38 4.67 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 123.452 1.584 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -49.45 4.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.104 0 CA-C-O 113.79 -2.671 . . . . 0.0 117.541 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -132.83 73.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 121.818 2.099 . . . . 0.0 109.345 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.677 ' CH2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.6 -156.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 0.0 107.98 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.8 -129.71 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.59 -89.87 2.03 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.96 75.59 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt 68.48 8.92 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.599 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -59.62 -177.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 78.24 118.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -114.41 -16.66 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 -172.05 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.09 119.12 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.581 ' CD2' ' CE3' ' A' ' 32' ' ' TRP . 2.0 tp -77.0 -157.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -144.55 -96.09 0.21 Allowed Glycine 0 CA--C 1.531 1.044 0 CA-C-O 123.483 1.601 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -39.95 77.31 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 CA-C-O 113.726 -2.698 . . . . 0.0 117.628 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 30' ' ' PRO . . . 95.95 28.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 121.721 2.055 . . . . 0.0 109.261 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.581 ' CE3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 107.963 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' TRP . 5.7 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -66.89 55.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 1.166 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.34 -174.68 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.038 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 11.0 t 74.78 41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -73.46 -21.26 60.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -121.76 -172.03 2.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.67 123.66 19.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.166 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tp -94.13 -163.94 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.19 -99.46 0.14 Allowed Glycine 0 CA--C 1.529 0.937 0 CA-C-O 123.467 1.593 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.732 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.0 61.66 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.144 0 CA-C-O 113.727 -2.697 . . . . 0.0 117.586 -172.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 156.24 -21.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 121.775 2.08 . . . . 0.0 109.24 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.82 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.1 t-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.033 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 66.64 10.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 1.116 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.96 -175.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.664 ' SG ' HD13 ' A' ' 28' ' ' LEU . 42.3 t 68.56 40.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.726 ' C ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -73.56 -20.29 60.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.726 HD22 ' C ' ' A' ' 25' ' ' ARG . 1.9 mm? -117.75 -171.61 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.86 123.95 20.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.116 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -93.45 -164.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.47 -100.1 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 CA-C-O 123.457 1.587 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.769 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.32 61.56 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.821 -2.658 . . . . 0.0 117.634 -172.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.666 2.03 . . . . 0.0 109.316 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 1.6 t-105 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.06 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt 65.51 10.13 6.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -68.43 172.38 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 2.6 p 156.08 57.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -27.21 66.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.47 -171.86 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.61 101.22 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD11 ' HE1' ' A' ' 23' ' ' TRP . 2.6 tp -63.13 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -109.44 -157.88 17.71 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 123.46 1.589 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -52.67 66.1 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 CA-C-O 113.799 -2.667 . . . . 0.0 117.608 -172.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 174.03 -28.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 121.722 2.055 . . . . 0.0 109.27 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 61.53 14.45 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 1.045 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.64 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.627 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 70.49 100.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.76 -19.19 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.76 -171.38 2.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.67 122.99 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.045 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -93.27 -164.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.46 -99.92 0.16 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-O 123.492 1.607 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.768 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -57.84 61.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.141 0 CA-C-O 113.757 -2.685 . . . . 0.0 117.592 -172.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.37 -21.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 121.738 2.063 . . . . 0.0 109.265 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.7 t-105 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tttt 68.24 8.91 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.54 -175.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 63.26 117.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -114.84 -17.57 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -143.43 -170.67 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 -39.27 121.86 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -61.03 -155.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -122.1 -161.0 11.15 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 123.431 1.573 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.52 36.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 CA-C-O 113.816 -2.66 . . . . 0.0 117.612 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -168.86 31.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 121.684 2.038 . . . . 0.0 109.291 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' TRP . 37.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 49.52 23.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -51.66 170.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' CB ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.06 89.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -59.83 -25.14 64.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LEU . 7.4 mt -102.25 -149.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.7 m120 -37.95 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.063 HD23 ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -62.49 -155.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.81 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-O 123.511 1.617 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -58.11 23.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.168 0 CA-C-O 113.808 -2.664 . . . . 0.0 117.628 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 25.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 121.749 2.068 . . . . 0.0 109.34 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.063 ' CE3' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER 48.33 24.19 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.542 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -52.04 173.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.996 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 0.7 OUTLIER 155.21 81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 108.276 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -114.02 -20.16 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.2 -171.7 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.31 111.91 8.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -80.36 -155.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.58 -106.55 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-O 123.488 1.604 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.761 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -58.04 59.69 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 CA-C-O 113.741 -2.691 . . . . 0.0 117.561 -172.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.92 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 121.759 2.072 . . . . 0.0 109.308 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CH2' ' HG2' ' A' ' 22' ' ' LYS . 1.5 t-105 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 108.006 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 25.6 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 5.3 pttt 48.84 22.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -72.12 -177.47 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.719 ' HB2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 67.53 101.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -18.01 17.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -109.43 -168.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -74.6 118.55 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.719 HD13 ' HB2' ' A' ' 24' ' ' CYS . 3.7 tp -88.46 -163.7 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.16 -100.03 0.15 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 123.551 1.639 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.748 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -57.19 61.44 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.106 0 CA-C-O 113.782 -2.674 . . . . 0.0 117.625 -172.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.24 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 121.718 2.054 . . . . 0.0 109.294 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.678 ' HB2' HD23 ' A' ' 28' ' ' LEU . 1.7 t-105 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 107.997 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 8.21 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -67.97 -175.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.841 ' HB2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 67.98 96.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 108.32 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -20.78 22.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mt -114.7 -169.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.27 122.48 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 24' ' ' CYS . 3.5 tp -83.09 -164.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -152.14 -103.81 0.25 Allowed Glycine 0 CA--C 1.53 1.027 0 CA-C-O 123.545 1.636 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.756 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -56.66 59.43 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.819 -2.659 . . . . 0.0 117.627 -172.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.18 -19.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.686 2.039 . . . . 0.0 109.279 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.599 ' HB2' HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' TRP . 17.2 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CD ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 41.41 28.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.596 ' CH2' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.76 179.34 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 15.0 p -171.0 128.07 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HA ' ' CH2' ' A' ' 23' ' ' TRP . 1.9 ttm105 -71.62 -12.77 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.37 -153.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -94.33 134.25 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.742 HD11 ' CG ' ' A' ' 32' ' ' TRP . 1.9 tp -82.91 -170.6 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 109.0 -114.05 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 123.487 1.604 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.787 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.63 61.26 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 CA-C-O 113.784 -2.673 . . . . 0.0 117.579 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 151.88 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.667 2.03 . . . . 0.0 109.313 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.742 ' CG ' HD11 ' A' ' 28' ' ' LEU . 16.3 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 pttt 43.94 27.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.715 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -56.85 -167.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.964 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.715 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -39.49 101.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -113.71 -20.16 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -141.98 -170.96 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -46.82 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 32' ' ' TRP . 4.9 tp -66.68 -164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.35 -100.42 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 123.459 1.588 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.758 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.47 62.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 CA-C-O 113.743 -2.691 . . . . 0.0 117.569 -172.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.26 -21.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 121.841 2.11 . . . . 0.0 109.315 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.71 ' HB2' HD23 ' A' ' 28' ' ' LEU . 1.4 t-105 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 107.966 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 38.35 30.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.68 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -62.76 -175.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.001 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.857 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -107.59 90.95 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.753 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -82.44 -27.01 32.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD22 ' H ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.21 -171.44 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.228 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.82 97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 24' ' ' CYS . 5.2 tp -61.2 -164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -166.98 -100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 CA-C-O 123.479 1.6 . . . . 0.0 111.065 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.755 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.44 62.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.133 0 CA-C-O 113.734 -2.694 . . . . 0.0 117.554 -172.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.755 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 156.19 -21.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 121.811 2.096 . . . . 0.0 109.356 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.696 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.7 t-105 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 11.04 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -67.76 172.61 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.956 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.88 101.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 1.2 ttt180 -67.44 -18.59 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.628 ' H ' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.71 -159.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.58 139.42 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HB3' ' CB ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -129.52 -158.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -106.98 -123.71 5.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 123.428 1.571 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.745 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -53.74 62.48 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-O 113.715 -2.702 . . . . 0.0 117.634 -172.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.63 -20.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 121.759 2.072 . . . . 0.0 109.318 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CB ' ' HB3' ' A' ' 28' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 107.996 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 11.69 5.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.526 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -69.23 174.05 5.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.059 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.607 ' HA ' HD13 ' A' ' 28' ' ' LEU . 1.8 p 157.91 67.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB3' HD12 ' A' ' 26' ' ' LEU . 11.1 ttt85 -92.98 -24.7 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 25' ' ' ARG . 4.5 mp -138.43 -171.49 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -42.32 115.54 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.69 HD23 ' CE3' ' A' ' 32' ' ' TRP . 5.3 tp -83.38 -163.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.53 -175.43 22.8 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 123.501 1.612 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -60.6 39.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.158 0 CA-C-O 113.817 -2.66 . . . . 0.0 117.636 -172.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.58 34.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.738 2.063 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CE3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.05 20.22 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.71 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.712 ' HB3' HD13 ' A' ' 28' ' ' LEU . 22.2 p 44.71 85.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' HD23 ' A' ' 26' ' ' LEU . 3.5 tpt180 -71.92 -20.42 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -127.14 -172.39 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.85 153.72 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.862 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -123.9 -162.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -173.38 3.3 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 123.446 1.581 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -60.98 39.44 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 CA-C-O 113.822 -2.657 . . . . 0.0 117.593 -172.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.98 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.742 2.064 . . . . 0.0 109.357 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 107.991 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt 62.12 13.01 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.634 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -64.96 -174.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' CZ2' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -100.62 82.96 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 108.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' CD ' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.07 -29.37 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' CD ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -144.91 -170.75 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.68 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.6 tp -66.65 -164.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.75 -100.13 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 123.478 1.599 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.756 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -56.89 61.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 CA-C-O 113.792 -2.67 . . . . 0.0 117.633 -172.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 121.686 2.039 . . . . 0.0 109.264 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CD1' ' SG ' ' A' ' 24' ' ' CYS . 1.7 t-105 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.935 ' O ' HD13 ' A' ' 28' ' ' LEU . 5.5 mtpt 59.36 30.26 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -74.56 -176.04 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.995 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.854 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.2 m 166.98 130.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -47.53 -19.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 24' ' ' CYS . 4.9 mp -101.81 -168.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.86 119.83 33.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.935 HD13 ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -87.73 -165.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 93.54 -125.93 8.42 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 123.437 1.576 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.782 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.6 Cg_endo -50.67 61.49 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.174 0 CA-C-O 113.728 -2.697 . . . . 0.0 117.566 -172.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.782 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 151.59 -8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 121.744 2.066 . . . . 0.0 109.319 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CD1' HD11 ' A' ' 28' ' ' LEU . 11.9 t-105 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' TRP . 1.6 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.678 ' HA ' HD23 ' A' ' 26' ' ' LEU . 4.2 mttm -66.86 56.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.788 ' O ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -86.54 178.38 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 108.079 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' C ' ' H ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 83.36 -163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -46.85 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -56.36 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.99 61.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -103.96 -153.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 177.39 -106.77 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 CA-C-O 123.513 1.618 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.734 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.5 64.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 CA-C-O 113.693 -2.711 . . . . 0.0 117.582 -172.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.23 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.751 2.068 . . . . 0.0 109.306 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.668 ' CZ3' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t-105 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 107.981 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TRP . 55.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.79 25.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.704 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -55.6 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.976 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.704 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 22.1 p 44.46 74.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -105.14 -20.43 13.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.98 -167.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -77.16 72.53 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' N ' ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -54.66 -171.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -139.95 -145.38 4.67 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 123.452 1.584 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -49.45 4.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.104 0 CA-C-O 113.79 -2.671 . . . . 0.0 117.541 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -132.83 73.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 121.818 2.099 . . . . 0.0 109.345 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.677 ' CH2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.598 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 2.9 pt-20 -179.18 66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 93.5 m95 -162.02 146.28 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.468 1.604 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.2 87.28 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 CA-C-O 113.776 -2.677 . . . . 0.0 117.617 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.585 ' O ' ' CE3' ' A' ' 5' ' ' TRP . 48.6 p-90 -131.05 41.32 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.716 2.053 . . . . 0.0 108.0 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' ARG . 24.3 p30 -96.44 154.71 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.36 87.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -69.32 160.97 30.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.888 1.328 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HYP . . . . . 0.487 ' C ' ' OG1' ' A' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.67 HG22 ' H ' ' A' ' 11' ' ' LYS . 3.2 m -153.81 -165.33 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.41 172.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.67 ' H ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER 38.69 82.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.233 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.57 169.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.859 1.314 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.504 ' HA ' HD23 ' A' ' 15' ' ' HYP . 0.3 OUTLIER 60.59 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 122.88 1.324 . . . . 0.0 109.319 172.147 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.504 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -38.92 94.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 122.872 1.32 . . . . 0.0 109.96 172.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 5.5 t30 -68.51 -52.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.918 1.342 . . . . 0.0 109.334 172.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.55 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 38.7 52.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.311 172.154 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -150.41 99.58 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt 68.48 8.92 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.599 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -59.62 -177.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 78.24 118.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -114.41 -16.66 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 -172.05 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.09 119.12 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.581 ' CD2' ' CE3' ' A' ' 32' ' ' TRP . 2.0 tp -77.0 -157.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -144.55 -96.09 0.21 Allowed Glycine 0 CA--C 1.531 1.044 0 CA-C-O 123.483 1.601 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -39.95 77.31 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 CA-C-O 113.726 -2.698 . . . . 0.0 117.628 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 30' ' ' PRO . . . 95.95 28.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 121.721 2.055 . . . . 0.0 109.261 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.581 ' CE3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.53 -154.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 107.963 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . 122.75 130.65 3.71 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.07 -59.05 0.56 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' GLY . 1.2 mmm180 -70.0 -178.83 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.449 ' C ' ' NE1' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.401 ' C ' ' CD ' ' A' ' 2' ' ' GLU . 1.6 t90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 1' ' ' TRP . 8.0 pm0 42.57 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -113.75 148.05 38.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 123.483 1.611 . . . . 0.0 108.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.8 86.99 0.17 Allowed 'Trans proline' 0 CA--C 1.568 2.181 0 CA-C-O 113.752 -2.687 . . . . 0.0 117.559 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 5' ' ' TRP . 34.7 p-90 -154.63 49.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 121.742 2.064 . . . . 0.0 108.077 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 172.06 107.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 70.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.12 72.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.788 1.28 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LYS . 2.7 m -50.22 170.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.412 172.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER 38.69 84.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.08 168.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.893 1.33 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.69 HG22 HD22 ' A' ' 15' ' ' HYP . 0.6 OUTLIER -101.43 135.14 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.889 1.328 . . . . 0.0 109.254 172.171 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.69 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 160.33 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.848 1.309 . . . . 0.0 109.996 172.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -129.28 159.99 34.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.896 1.332 . . . . 0.0 109.293 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.493 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 38.59 30.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.317 172.129 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 19' ' ' HYP . 5.7 t0 -58.15 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -66.89 55.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 1.166 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.34 -174.68 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.038 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 11.0 t 74.78 41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -73.46 -21.26 60.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -121.76 -172.03 2.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.67 123.66 19.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.166 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tp -94.13 -163.94 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.19 -99.46 0.14 Allowed Glycine 0 CA--C 1.529 0.937 0 CA-C-O 123.467 1.593 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.732 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.0 61.66 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.144 0 CA-C-O 113.727 -2.697 . . . . 0.0 117.586 -172.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 156.24 -21.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 121.775 2.08 . . . . 0.0 109.24 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.82 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.1 t-105 -130.55 -148.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.033 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' GLY . . . 178.95 -121.96 0.78 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . 36.65 -143.83 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -136.57 77.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.53 93.39 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.2 m95 65.47 146.25 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 123.457 1.599 . . . . 0.0 108.048 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.87 87.16 0.14 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 CA-C-O 113.781 -2.675 . . . . 0.0 117.588 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -141.81 -113.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 121.68 2.036 . . . . 0.0 108.006 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -164.54 159.32 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 48.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER 40.62 72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.845 1.307 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HYP . . . . . 0.616 ' C ' ' CG2' ' A' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.616 ' CG2' ' C ' ' A' ' 9' ' ' HYP . 0.2 OUTLIER 46.51 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' N ' ' OG1' ' A' ' 10' ' ' THR . 8.3 tttt -133.38 54.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 0.9 OUTLIER 45.87 -177.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.846 1.308 . . . . 0.0 111.071 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.468 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' C ' ' A' ' 13' ' ' HYP . 3.0 mt -128.78 133.99 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.882 1.325 . . . . 0.0 109.348 172.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.443 HD22 ' CG2' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m 55.01 164.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.875 1.322 . . . . 0.0 110.029 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 2.1 t30 -68.81 -53.42 21.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.8 1.286 . . . . 0.0 109.222 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.538 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 40.87 54.33 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.349 172.199 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -149.65 100.22 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 66.64 10.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 1.116 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.96 -175.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.664 ' SG ' HD13 ' A' ' 28' ' ' LEU . 42.3 t 68.56 40.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.726 ' C ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -73.56 -20.29 60.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.726 HD22 ' C ' ' A' ' 25' ' ' ARG . 1.9 mm? -117.75 -171.61 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.86 123.95 20.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.116 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -93.45 -164.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.47 -100.1 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 CA-C-O 123.457 1.587 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.769 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.32 61.56 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.821 -2.658 . . . . 0.0 117.634 -172.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.666 2.03 . . . . 0.0 109.316 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 1.6 t-105 -133.19 -148.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.06 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.26 130.02 2.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . 85.0 92.36 0.79 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 47.27 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 108.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -177.66 176.32 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -135.07 143.95 48.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.453 1.597 . . . . 0.0 108.019 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.08 85.54 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.178 0 CA-C-O 113.776 -2.677 . . . . 0.0 117.595 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.402 ' CE3' ' O ' ' A' ' 5' ' ' TRP . 28.0 p-90 -153.11 26.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 121.732 2.06 . . . . 0.0 108.012 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 61.58 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -81.42 55.11 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.95 77.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.798 1.285 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 2.4 p -71.76 135.03 46.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.442 172.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -144.83 59.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -134.18 171.0 14.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.878 1.323 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.416 ' CD ' ' HB2' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.512 ' HA ' HD23 ' A' ' 15' ' ' HYP . 13.4 tt -57.33 133.16 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.795 1.284 . . . . 0.0 109.326 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.512 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.1 OUTLIER -71.92 -53.58 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.913 1.34 . . . . 0.0 109.986 172.119 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.499 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.38 161.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.833 1.301 . . . . 0.0 109.318 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 178.16 36.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.281 172.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.55 123.34 24.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt 65.51 10.13 6.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -68.43 172.38 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 2.6 p 156.08 57.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -27.21 66.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.47 -171.86 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' HA ' ' CA ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -77.61 101.22 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD11 ' HE1' ' A' ' 23' ' ' TRP . 2.6 tp -63.13 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -109.44 -157.88 17.71 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 123.46 1.589 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -52.67 66.1 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 CA-C-O 113.799 -2.667 . . . . 0.0 117.608 -172.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 174.03 -28.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 121.722 2.055 . . . . 0.0 109.27 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.05 -150.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . 174.26 124.19 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 36' ' ' CYS . . . -37.87 -30.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' GLY . 1.9 tpt180 -64.36 75.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 0.809 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 26.0 t90 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.52 58.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -81.32 146.5 58.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.414 1.578 . . . . 0.0 108.045 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.08 87.11 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 CA-C-O 113.757 -2.684 . . . . 0.0 117.621 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -129.4 -114.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 121.727 2.058 . . . . 0.0 107.969 179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.3 t-20 57.59 108.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -116.47 66.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.69 81.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.795 1.283 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 11' ' ' LYS . 3.2 m -90.79 179.65 5.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.408 172.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' H ' HG22 ' A' ' 10' ' ' THR . 1.6 tttp -140.23 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -44.45 169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.823 1.297 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.506 ' C ' ' CG1' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.688 HG22 HD22 ' A' ' 15' ' ' HYP . 1.6 mt -148.19 134.85 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.9 1.333 . . . . 0.0 109.273 172.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.688 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.515 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.0 OUTLIER 168.36 -52.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.904 1.335 . . . . 0.0 110.04 172.202 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.515 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -130.49 91.07 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.793 1.282 . . . . 0.0 109.344 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.61 27.42 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.339 172.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -93.68 101.39 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 61.53 14.45 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 1.045 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.64 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.627 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 70.49 100.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.76 -19.19 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -128.76 -171.38 2.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.67 122.99 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.045 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -93.27 -164.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.46 -99.92 0.16 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-O 123.492 1.607 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.768 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -57.84 61.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.141 0 CA-C-O 113.757 -2.685 . . . . 0.0 117.592 -172.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.37 -21.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 121.738 2.063 . . . . 0.0 109.265 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.7 t-105 -137.5 -148.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.88 130.25 3.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.98 -126.93 8.47 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 86.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.259 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.49 112.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.432 ' CB ' ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -63.61 159.74 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 123.507 1.622 . . . . 0.0 107.968 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -61.29 -88.67 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 CA-C-O 113.827 -2.655 . . . . 0.0 117.61 -172.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m95 68.85 95.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 121.705 2.048 . . . . 0.0 107.949 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.88 172.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -130.03 82.95 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 160.73 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.846 1.308 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 11' ' ' LYS . 8.3 m -147.68 -178.31 6.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.481 172.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -113.28 136.62 52.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -120.51 167.31 12.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.901 1.334 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.429 ' O ' HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 13' ' ' HYP . 0.4 OUTLIER 60.78 136.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 122.798 1.285 . . . . 0.0 109.35 172.123 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.423 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m 69.46 164.07 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.878 1.323 . . . . 0.0 110.004 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.1 t-20 -66.21 -51.53 56.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.873 1.32 . . . . 0.0 109.291 172.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 4.4 ttt180 38.65 53.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.239 172.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 100.28 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tttt 68.24 8.91 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.54 -175.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 63.26 117.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -114.84 -17.57 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -143.43 -170.67 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 -39.27 121.86 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -61.03 -155.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -122.1 -161.0 11.15 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 123.431 1.573 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.52 36.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 CA-C-O 113.816 -2.66 . . . . 0.0 117.612 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -168.86 31.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 121.684 2.038 . . . . 0.0 109.291 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -141.46 -154.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.82 -131.35 5.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -113.93 146.13 18.56 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER 47.02 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 2' ' ' GLU . 31.7 p-90 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -50.73 112.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 110.238 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.512 ' NE1' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -134.69 140.18 34.64 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 123.492 1.615 . . . . 0.0 108.034 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.43 10.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 CA-C-O 113.754 -2.686 . . . . 0.0 117.574 -172.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.512 ' CD1' ' NE1' ' A' ' 3' ' ' TRP . 8.8 m95 41.86 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 121.761 2.073 . . . . 0.0 107.984 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ARG . 33.9 p-10 -82.57 168.06 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.32 89.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.25 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -107.76 160.88 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.867 1.318 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.613 HG22 ' H ' ' A' ' 11' ' ' LYS . 28.0 m -114.4 177.91 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.449 172.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.613 ' H ' HG22 ' A' ' 10' ' ' THR . 0.9 OUTLIER -101.34 155.97 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -122.03 170.5 9.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.82 1.295 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.676 HG22 HD22 ' A' ' 15' ' ' HYP . 0.6 OUTLIER -76.26 134.97 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.834 1.302 . . . . 0.0 109.345 172.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.676 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.549 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.2 OUTLIER -64.2 -50.5 67.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.846 1.307 . . . . 0.0 109.983 172.122 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.549 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' HYP . 3.7 m-80 -106.22 168.97 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.838 1.304 . . . . 0.0 109.347 172.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.526 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 1.4 ttp85 38.24 30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.307 172.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 19' ' ' HYP . 37.5 m-20 -75.36 97.97 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 49.52 23.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -51.66 170.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' CB ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.06 89.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -59.83 -25.14 64.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LEU . 7.4 mt -102.25 -149.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 10.7 m120 -37.95 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.063 HD23 ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -62.49 -155.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.81 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-O 123.511 1.617 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -58.11 23.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.168 0 CA-C-O 113.808 -2.664 . . . . 0.0 117.628 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 25.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 121.749 2.068 . . . . 0.0 109.34 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.063 ' CE3' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -147.92 -143.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.85 112.66 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.59 -105.14 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 169.33 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 32.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.324 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.6 m95 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -39.1 148.79 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.4 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -144.26 59.41 6.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 123.406 1.574 . . . . 0.0 108.011 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -63.72 86.95 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.169 0 CA-C-O 113.823 -2.657 . . . . 0.0 117.555 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' CE3' ' A' ' 5' ' ' TRP . 43.5 p-90 -165.37 47.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 121.711 2.051 . . . . 0.0 107.996 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ARG . 43.9 m-20 -126.26 -177.06 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.36 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 46.25 85.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.86 1.314 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.464 ' CB ' ' CE2' ' A' ' 12' ' ' PHE . 1.9 p -59.23 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -110.64 85.93 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CE2' ' CB ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -123.23 167.08 14.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.855 1.312 . . . . 0.0 111.064 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.64 HG22 HD22 ' A' ' 15' ' ' HYP . 3.5 mt -94.26 134.76 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 122.893 1.33 . . . . 0.0 109.284 172.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.64 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m 55.56 165.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.895 1.331 . . . . 0.0 110.005 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' CG ' ' CD ' ' A' ' 19' ' ' HYP . 2.6 t30 -173.82 171.69 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.806 1.288 . . . . 0.0 109.321 172.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.421 ' CD ' ' CG ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -106.36 28.11 8.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -75.44 96.97 3.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER 48.33 24.19 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.542 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -52.04 173.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.996 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 0.7 OUTLIER 155.21 81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 108.276 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -114.02 -20.16 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.2 -171.7 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.31 111.91 8.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -80.36 -155.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.58 -106.55 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-O 123.488 1.604 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.761 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -58.04 59.69 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 CA-C-O 113.741 -2.691 . . . . 0.0 117.561 -172.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.92 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 121.759 2.072 . . . . 0.0 109.308 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CH2' ' HG2' ' A' ' 22' ' ' LYS . 1.5 t-105 -128.6 -147.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . . . 179.68 124.06 0.87 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -36.56 155.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.13 74.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.734 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 13.5 p90 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.584 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 6.3 pt-20 -171.83 144.14 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -163.25 162.18 17.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 123.488 1.613 . . . . 0.0 107.973 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.579 ' O ' ' CD1' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.76 -97.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.147 0 CA-C-O 113.789 -2.671 . . . . 0.0 117.585 -172.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 4' ' ' PRO . 34.6 p-90 44.78 49.95 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 121.681 2.037 . . . . 0.0 108.008 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -121.96 80.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.504 ' O ' ' CD ' ' A' ' 9' ' ' HYP . 0.1 OUTLIER -151.59 88.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.824 1.297 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HYP . . . . . 0.504 ' CD ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . 2.7 m -83.26 169.9 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 172.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' THR . 8.6 tttp 38.7 85.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -43.12 168.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.879 1.323 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.412 ' HA ' HD23 ' A' ' 15' ' ' HYP . 0.1 OUTLIER 60.6 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.847 1.308 . . . . 0.0 109.262 172.128 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.412 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -56.61 163.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.847 1.308 . . . . 0.0 110.045 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.404 ' O ' ' O ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HYP . 25.2 t-20 40.32 91.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.829 1.299 . . . . 0.0 109.312 172.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -132.39 23.81 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 172.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 25.6 t0 -104.2 125.8 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 5.3 pttt 48.84 22.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -72.12 -177.47 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.719 ' HB2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 67.53 101.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -18.01 17.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -109.43 -168.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -74.6 118.55 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.719 HD13 ' HB2' ' A' ' 24' ' ' CYS . 3.7 tp -88.46 -163.7 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.16 -100.03 0.15 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 123.551 1.639 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.748 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -57.19 61.44 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.106 0 CA-C-O 113.782 -2.674 . . . . 0.0 117.625 -172.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.24 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 121.718 2.054 . . . . 0.0 109.294 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.678 ' HB2' HD23 ' A' ' 28' ' ' LEU . 1.7 t-105 -135.42 -147.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 107.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 129.88 3.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.88 -153.45 17.62 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -60.97 102.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.362 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.543 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 2.5 m-90 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 1' ' ' TRP . 9.4 pt-20 42.21 54.48 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.23 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 1' ' ' TRP . 54.1 m95 -128.74 65.31 72.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 123.531 1.634 . . . . 0.0 108.05 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.94 91.27 0.17 Allowed 'Trans proline' 0 CA--C 1.567 2.151 0 CA-C-O 113.735 -2.694 . . . . 0.0 117.633 -172.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -90.78 45.86 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 121.795 2.089 . . . . 0.0 107.978 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -125.69 119.51 28.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 83.24 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 66.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.924 1.345 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -115.15 173.22 6.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.44 172.12 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -140.15 56.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.633 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 1.1 m-30 -59.79 -72.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.855 1.312 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.633 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.698 HG22 HD22 ' A' ' 15' ' ' HYP . 0.2 OUTLIER -121.76 134.89 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.876 1.322 . . . . 0.0 109.334 172.044 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.698 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.17 93.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.82 1.295 . . . . 0.0 110.017 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.497 ' CD ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -172.15 140.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.894 1.331 . . . . 0.0 109.26 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.04 36.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 172.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.19 114.2 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 8.21 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -67.97 -175.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.841 ' HB2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 67.98 96.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 108.32 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -20.78 22.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 7.9 mt -114.7 -169.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.27 122.48 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 24' ' ' CYS . 3.5 tp -83.09 -164.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -152.14 -103.81 0.25 Allowed Glycine 0 CA--C 1.53 1.027 0 CA-C-O 123.545 1.636 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.756 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -56.66 59.43 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.819 -2.659 . . . . 0.0 117.627 -172.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.18 -19.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.686 2.039 . . . . 0.0 109.279 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.599 ' HB2' HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -139.01 -147.03 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -155.13 -127.82 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.85 -166.24 16.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 39.45 76.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 110.339 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 16.3 m0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.45 123.39 25.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -49.03 148.68 3.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 123.514 1.626 . . . . 0.0 108.008 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.66 28.52 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 CA-C-O 113.778 -2.676 . . . . 0.0 117.563 -172.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -80.56 -23.11 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 121.806 2.094 . . . . 0.0 108.036 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 40.43 56.43 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.95 49.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 80.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.857 1.313 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 11' ' ' LYS . 16.5 m -143.64 175.46 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.357 172.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.524 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -54.3 107.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -116.01 168.74 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.807 1.289 . . . . 0.0 111.042 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.666 HG22 HD22 ' A' ' 15' ' ' HYP . 2.8 mm -97.22 134.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 122.889 1.328 . . . . 0.0 109.294 172.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.666 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.4 m -147.8 84.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.855 1.312 . . . . 0.0 109.996 172.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.506 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 0.9 OUTLIER -74.72 -57.96 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.849 1.309 . . . . 0.0 109.301 172.142 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.506 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 43.16 47.23 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.28 172.126 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' TRP . 17.2 t0 -100.16 123.32 44.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CD ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 41.41 28.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.596 ' CH2' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.76 179.34 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 15.0 p -171.0 128.07 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HA ' ' CH2' ' A' ' 23' ' ' TRP . 1.9 ttm105 -71.62 -12.77 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -116.37 -153.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.365 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -94.33 134.25 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 36' ' ' CYS . 1.9 tp -82.91 -170.6 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 109.0 -114.05 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 123.487 1.604 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.787 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.63 61.26 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 CA-C-O 113.784 -2.673 . . . . 0.0 117.579 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 151.88 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.667 2.03 . . . . 0.0 109.313 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.742 ' CG ' HD11 ' A' ' 28' ' ' LEU . 16.3 t-105 -120.74 -144.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.41 127.53 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.83 -128.56 3.03 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -141.6 103.9 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 110.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.922 ' HB2' HD22 ' A' ' 28' ' ' LEU . 50.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.94 138.42 54.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -57.48 146.49 63.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.387 1.565 . . . . 0.0 108.065 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.25 87.25 0.16 Allowed 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.814 -2.661 . . . . 0.0 117.6 -172.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.433 ' O ' ' CE3' ' A' ' 5' ' ' TRP . 36.1 p-90 -175.5 49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.748 2.067 . . . . 0.0 107.975 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' ARG . 7.7 p30 -104.2 126.77 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 35.97 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HA ' HD23 ' A' ' 9' ' ' HYP . 2.1 ttmt -40.82 139.22 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.873 1.32 . . . . 0.0 109.229 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HYP . . . . . 0.445 HD23 ' HA ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 11' ' ' LYS . 29.1 m -88.4 177.9 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.402 172.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -64.45 119.58 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 13.8 m-85 -65.05 171.89 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.82 1.295 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.482 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.579 HG23 HD22 ' A' ' 15' ' ' HYP . 19.0 mt -43.83 134.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 122.884 1.326 . . . . 0.0 109.279 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.579 HD22 HG23 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER 176.1 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.87 1.319 . . . . 0.0 110.03 172.134 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.497 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -117.53 165.48 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.928 1.346 . . . . 0.0 109.286 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.486 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 15.9 ttp180 37.55 33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 172.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 19' ' ' HYP . 4.3 m-20 -68.61 99.48 1.0 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 pttt 43.94 27.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.715 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -56.85 -167.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.964 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.715 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -39.49 101.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -113.71 -20.16 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -141.98 -170.96 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -46.82 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 32' ' ' TRP . 4.9 tp -66.68 -164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.35 -100.42 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 123.459 1.588 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.758 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.47 62.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 CA-C-O 113.743 -2.691 . . . . 0.0 117.569 -172.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.26 -21.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 121.841 2.11 . . . . 0.0 109.315 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.71 ' HB2' HD23 ' A' ' 28' ' ' LEU . 1.4 t-105 -120.52 -149.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 107.966 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.28 -129.78 2.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.31 -78.75 0.43 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.13 178.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' C ' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.309 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -161.74 31.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -48.6 146.57 4.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 123.411 1.577 . . . . 0.0 108.076 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.45 85.27 0.16 Allowed 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.764 -2.682 . . . . 0.0 117.596 -172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -125.27 -114.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 121.758 2.072 . . . . 0.0 108.045 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -81.23 163.09 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -112.04 58.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.38 161.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.808 1.289 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.6 HG22 ' H ' ' A' ' 11' ' ' LYS . 55.2 m -58.29 177.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.446 172.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.6 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -78.17 157.52 29.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -42.35 167.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.856 1.313 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' ILE . 1.2 tp -49.6 132.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.834 1.302 . . . . 0.0 109.33 172.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.439 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER -175.39 177.87 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.907 1.337 . . . . 0.0 109.926 172.103 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.524 ' CD ' ' CB ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.452 ' HB3' ' CD ' ' A' ' 19' ' ' HYP . 56.7 m-80 -101.21 170.51 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.822 1.296 . . . . 0.0 109.302 172.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.452 ' CD ' ' HB3' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -157.22 25.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.265 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -76.87 116.48 17.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 38.35 30.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.68 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -62.76 -175.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.001 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.857 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -107.59 90.95 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.753 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -82.44 -27.01 32.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD22 ' H ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.21 -171.44 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.228 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.82 97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 24' ' ' CYS . 5.2 tp -61.2 -164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -166.98 -100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 CA-C-O 123.479 1.6 . . . . 0.0 111.065 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.755 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.44 62.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.133 0 CA-C-O 113.734 -2.694 . . . . 0.0 117.554 -172.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.755 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 156.19 -21.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 121.811 2.096 . . . . 0.0 109.356 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.696 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.7 t-105 -127.69 -147.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.42 -130.2 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 35' ' ' ARG . . . -89.14 -150.25 22.07 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER 49.42 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 5.6 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.1 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -129.07 117.0 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -127.63 66.04 68.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 123.514 1.625 . . . . 0.0 107.955 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.81 14.62 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 CA-C-O 113.686 -2.714 . . . . 0.0 117.547 -172.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 1.8 m0 88.85 -16.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 121.821 2.101 . . . . 0.0 108.025 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' ARG . 20.1 p-10 -43.47 126.61 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.19 84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.332 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' N ' HD23 ' A' ' 9' ' ' HYP . 1.4 tmtp? -138.47 66.39 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.885 1.326 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HYP . . . . . 0.409 HD23 ' N ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -117.15 173.27 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 172.121 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' N ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -72.52 96.81 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 9.4 m-85 -73.04 173.14 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.877 1.322 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.453 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.598 HG23 HD22 ' A' ' 15' ' ' HYP . 3.3 mt -41.97 134.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.873 1.32 . . . . 0.0 109.288 172.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.598 HD22 HG23 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.73 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.881 1.324 . . . . 0.0 109.999 172.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.481 ' N ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.673 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 6.0 t-20 158.79 -42.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.823 1.297 . . . . 0.0 109.253 172.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.673 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -139.53 27.22 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 172.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.12 124.16 28.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 11.04 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -67.76 172.61 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.956 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.88 101.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 1.2 ttt180 -67.44 -18.59 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.628 HD22 ' H ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.71 -159.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.58 139.42 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HB3' ' CB ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -129.52 -158.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -106.98 -123.71 5.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 123.428 1.571 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.745 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -53.74 62.48 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-O 113.715 -2.702 . . . . 0.0 117.634 -172.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.63 -20.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 121.759 2.072 . . . . 0.0 109.318 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CB ' ' HB3' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -119.73 -147.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 107.996 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.92 -123.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 28' ' ' LEU . . . -139.1 106.83 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 3.6 tpt180 59.98 148.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.604 0.826 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.448 ' HA ' ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.25 49.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -66.09 156.86 83.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 123.497 1.618 . . . . 0.0 108.01 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.05 27.76 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 CA-C-O 113.752 -2.687 . . . . 0.0 117.652 -172.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 3' ' ' TRP . 1.3 p-90 -124.99 -114.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 121.711 2.05 . . . . 0.0 108.068 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.0 t30 66.84 179.52 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -87.64 48.47 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.46 160.42 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.805 1.288 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.431 HG22 ' H ' ' A' ' 11' ' ' LYS . 2.5 m -95.85 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.464 172.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' H ' HG22 ' A' ' 10' ' ' THR . 5.5 tttt -86.03 54.94 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.634 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 1.7 m-85 -60.09 -72.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.815 1.293 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.634 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.651 HG22 HD22 ' A' ' 15' ' ' HYP . 1.0 OUTLIER -95.2 134.98 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.825 1.298 . . . . 0.0 109.264 172.195 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.651 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.73 170.09 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.87 1.319 . . . . 0.0 110.012 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.0 OUTLIER 171.02 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.846 1.307 . . . . 0.0 109.318 172.154 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.545 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' C ' ' O ' ' A' ' 19' ' ' HYP . 9.7 ptt85 27.21 46.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.337 172.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' HYP . 0.0 OUTLIER -127.17 122.36 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 11.69 5.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.526 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -69.23 174.05 5.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.059 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.607 ' HA ' HD13 ' A' ' 28' ' ' LEU . 1.8 p 157.91 67.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB3' HD12 ' A' ' 26' ' ' LEU . 11.1 ttt85 -92.98 -24.7 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 25' ' ' ARG . 4.5 mp -138.43 -171.49 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -42.32 115.54 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.69 HD23 ' CE3' ' A' ' 32' ' ' TRP . 5.3 tp -83.38 -163.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.53 -175.43 22.8 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 123.501 1.612 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -60.6 39.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.158 0 CA-C-O 113.817 -2.66 . . . . 0.0 117.636 -172.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.58 34.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.738 2.063 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CE3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -140.57 -154.21 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 107.996 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.34 130.61 4.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 -109.46 3.08 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 93.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.507 ' C ' ' CD1' ' A' ' 32' ' ' TRP . 1.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 4' ' ' PRO . 9.9 pt-20 -179.7 171.41 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' GLU . 41.3 m95 -42.47 99.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 123.505 1.621 . . . . 0.0 107.998 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 2' ' ' GLU . 57.8 Cg_endo -62.59 88.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.135 0 CA-C-O 113.739 -2.692 . . . . 0.0 117.62 -172.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -132.64 -114.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 121.773 2.079 . . . . 0.0 108.076 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -178.78 65.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -154.97 96.8 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -136.62 68.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.878 1.323 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -114.09 173.35 6.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.431 172.147 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -66.55 118.62 10.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 0.1 OUTLIER 162.31 -78.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.841 1.305 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.566 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 HD22 ' A' ' 15' ' ' HYP . 23.3 mm -117.22 134.58 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 122.832 1.301 . . . . 0.0 109.337 172.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.604 HD22 HG23 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p 54.92 167.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.819 1.295 . . . . 0.0 109.999 172.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.555 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.6 t-20 168.81 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.857 1.313 . . . . 0.0 109.312 172.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.571 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.571 ' C ' ' O ' ' A' ' 19' ' ' HYP . 0.4 OUTLIER 24.35 49.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.23 172.143 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' HYP . 3.2 m-20 -85.87 92.79 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.05 20.22 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.71 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.712 ' HB3' HD13 ' A' ' 28' ' ' LEU . 22.2 p 44.71 85.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' HD23 ' A' ' 26' ' ' LEU . 3.5 tpt180 -71.92 -20.42 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -127.14 -172.39 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.85 153.72 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.862 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -123.9 -162.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -173.38 3.3 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 123.446 1.581 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -60.98 39.44 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 CA-C-O 113.822 -2.657 . . . . 0.0 117.593 -172.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.98 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.742 2.064 . . . . 0.0 109.357 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -143.44 -153.52 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 107.991 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.59 129.41 6.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' CYS . . . 86.14 -125.45 7.36 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -50.51 91.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 43.58 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.76 146.66 65.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 123.397 1.57 . . . . 0.0 108.039 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 6' ' ' ASN . 57.9 Cg_endo -66.78 21.14 0.1 OUTLIER 'Trans proline' 0 CA--C 1.566 2.085 0 CA-C-O 113.813 -2.661 . . . . 0.0 117.632 -172.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 41.8 30.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 121.764 2.074 . . . . 0.0 107.949 179.632 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.452 ' N ' ' C ' ' A' ' 4' ' ' PRO . 1.5 m-20 -42.11 116.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' ASN . 5.0 ttt85 36.31 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 70.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.833 1.301 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 29.9 p -61.32 139.74 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.413 172.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -70.31 59.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 12.1 m-85 -144.95 171.38 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.837 1.303 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.552 ' C ' HD13 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.696 HG22 HD22 ' A' ' 15' ' ' HYP . 1.2 mm -87.04 134.88 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 122.814 1.292 . . . . 0.0 109.344 172.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.696 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' HYP . 0.4 OUTLIER 164.3 166.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.771 1.272 . . . . 0.0 110.035 172.14 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.558 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.0 OUTLIER 167.89 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.936 1.35 . . . . 0.0 109.254 172.135 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.558 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.93 22.86 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.287 172.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -114.44 124.09 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt 62.12 13.01 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.634 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -64.96 -174.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' CZ2' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -100.62 82.96 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 108.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' CD ' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.07 -29.37 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' CD ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -144.91 -170.75 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.68 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.6 tp -66.65 -164.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.75 -100.13 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 123.478 1.599 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.756 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -56.89 61.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 CA-C-O 113.792 -2.67 . . . . 0.0 117.633 -172.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 121.686 2.039 . . . . 0.0 109.264 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CD1' ' SG ' ' A' ' 24' ' ' CYS . 1.7 t-105 -130.19 -148.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.36 130.87 3.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.77 123.82 0.28 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 42.74 74.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 39.24 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.441 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 8.1 p90 -134.12 57.44 24.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.411 1.577 . . . . 0.0 108.005 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -63.82 27.89 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 CA-C-O 113.768 -2.68 . . . . 0.0 117.578 -172.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -106.7 -113.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 121.797 2.09 . . . . 0.0 107.979 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.2 m120 58.52 81.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.57 57.12 3.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.842 1.306 . . . . 0.0 109.372 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -65.85 173.13 3.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.342 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -95.79 59.85 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.04 168.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.873 1.32 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.463 ' HA ' HD23 ' A' ' 15' ' ' HYP . 9.0 tt -63.43 133.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.828 1.299 . . . . 0.0 109.295 172.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.463 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.501 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.2 OUTLIER -68.44 -52.94 27.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.871 1.32 . . . . 0.0 109.968 172.174 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.501 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -96.43 165.85 11.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.866 1.317 . . . . 0.0 109.34 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.537 ' HD2' ' CD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER 37.78 43.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.282 172.03 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.935 ' O ' HD13 ' A' ' 28' ' ' LEU . 5.5 mtpt 59.36 30.26 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -74.56 -176.04 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.995 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.854 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.2 m 166.98 130.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -47.53 -19.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 24' ' ' CYS . 4.9 mp -101.81 -168.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.86 119.83 33.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.935 HD13 ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -87.73 -165.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 93.54 -125.93 8.42 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 123.437 1.576 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.782 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.6 Cg_endo -50.67 61.49 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.174 0 CA-C-O 113.728 -2.697 . . . . 0.0 117.566 -172.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.782 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 151.59 -8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 121.744 2.066 . . . . 0.0 109.319 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CD1' HD11 ' A' ' 28' ' ' LEU . 11.9 t-105 -110.82 -155.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 34' ' ' GLY . . . 146.52 -122.11 1.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . 23.63 -100.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' CYS . 5.9 tmm_? 172.78 120.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.287 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.6 m0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 39.91 50.06 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 80.9 m95 65.33 148.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 123.526 1.631 . . . . 0.0 107.987 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.8 87.09 0.17 Allowed 'Trans proline' 0 CA--C 1.567 2.164 0 CA-C-O 113.767 -2.681 . . . . 0.0 117.571 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -103.96 -113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 121.798 2.09 . . . . 0.0 107.996 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -89.92 47.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -150.73 67.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -79.5 161.58 25.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.828 1.299 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.594 HG22 ' H ' ' A' ' 11' ' ' LYS . 15.2 m -86.39 178.45 7.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.358 172.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.594 ' H ' HG22 ' A' ' 10' ' ' THR . 1.6 ttmt -139.82 140.55 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -124.42 173.31 8.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.847 1.308 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.607 HG23 HD22 ' A' ' 15' ' ' HYP . 26.7 mt -130.54 134.53 62.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.921 1.343 . . . . 0.0 109.295 172.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.607 HD22 HG23 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.505 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER -70.14 -53.74 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.883 1.325 . . . . 0.0 110.066 172.127 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HYP . . . . . 0.505 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 0.6 OUTLIER 168.84 -51.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.891 1.329 . . . . 0.0 109.367 172.192 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HYP . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.0 ttt-85 38.04 33.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.337 172.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' TRP . 1.6 t70 -58.63 -153.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.678 ' HA ' HD23 ' A' ' 26' ' ' LEU . 4.2 mttm -66.86 56.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.788 ' O ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -86.54 178.38 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 108.079 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' C ' ' H ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 83.36 -163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -46.85 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -56.36 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.99 61.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -103.96 -153.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 177.39 -106.77 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 CA-C-O 123.513 1.618 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.734 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.5 64.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 CA-C-O 113.693 -2.711 . . . . 0.0 117.582 -172.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.23 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.751 2.068 . . . . 0.0 109.306 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.668 ' CZ3' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t-105 -125.66 -147.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 107.981 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.84 5.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.7 -81.0 0.36 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' CA ' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -134.3 163.19 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 25' ' ' ARG . 15.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.89 135.54 39.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.453 ' HA ' ' CZ3' ' A' ' 5' ' ' TRP . 4.9 p90 -149.77 55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 123.43 1.586 . . . . 0.0 108.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.9 Cg_endo -61.52 72.42 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.842 -2.649 . . . . 0.0 117.617 -172.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CZ3' ' HA ' ' A' ' 3' ' ' TRP . 29.7 p90 -176.17 39.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 121.693 2.042 . . . . 0.0 108.028 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -177.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.57 58.03 1.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -130.07 84.6 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.918 1.342 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 11' ' ' LYS . 13.7 m -113.62 179.0 4.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.466 172.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 10' ' ' THR . 7.4 tttt -138.44 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.469 ' CB ' ' CD ' ' A' ' 13' ' ' HYP . 1.2 m-85 46.0 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.826 1.298 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.469 ' CD ' ' CB ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 15' ' ' HYP . 20.8 tt -82.86 133.8 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 122.839 1.304 . . . . 0.0 109.306 172.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HYP . . . . . 0.459 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -141.83 82.28 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.875 1.322 . . . . 0.0 110.003 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.84 171.72 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.899 1.333 . . . . 0.0 109.234 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.78 27.19 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 172.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TRP . 55.3 m-20 -84.14 95.89 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.79 25.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.704 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -55.6 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.976 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.704 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 22.1 p 44.46 74.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -105.14 -20.43 13.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.98 -167.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -77.16 72.53 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' N ' ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -54.66 -171.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -139.95 -145.38 4.67 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 123.452 1.584 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -49.45 4.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.104 0 CA-C-O 113.79 -2.671 . . . . 0.0 117.541 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -132.83 73.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 121.818 2.099 . . . . 0.0 109.345 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.677 ' CH2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.6 -156.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 0.0 107.98 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.8 -129.71 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.59 -89.87 2.03 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.96 75.59 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt 68.48 8.92 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.599 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -59.62 -177.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 78.24 118.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -114.41 -16.66 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 -172.05 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.09 119.12 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.581 ' CD2' ' CE3' ' A' ' 32' ' ' TRP . 2.0 tp -77.0 -157.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -144.55 -96.09 0.21 Allowed Glycine 0 CA--C 1.531 1.044 0 CA-C-O 123.483 1.601 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -39.95 77.31 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 CA-C-O 113.726 -2.698 . . . . 0.0 117.628 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 30' ' ' PRO . . . 95.95 28.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 121.721 2.055 . . . . 0.0 109.261 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.581 ' CE3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 107.963 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' TRP . 5.7 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -66.89 55.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 1.166 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.34 -174.68 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.038 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 11.0 t 74.78 41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -73.46 -21.26 60.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -121.76 -172.03 2.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.67 123.66 19.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.166 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tp -94.13 -163.94 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.19 -99.46 0.14 Allowed Glycine 0 CA--C 1.529 0.937 0 CA-C-O 123.467 1.593 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.732 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.0 61.66 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.144 0 CA-C-O 113.727 -2.697 . . . . 0.0 117.586 -172.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 156.24 -21.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 121.775 2.08 . . . . 0.0 109.24 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.82 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.1 t-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.033 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 66.64 10.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 1.116 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.96 -175.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.664 ' SG ' HD13 ' A' ' 28' ' ' LEU . 42.3 t 68.56 40.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.726 ' C ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -73.56 -20.29 60.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.726 HD22 ' C ' ' A' ' 25' ' ' ARG . 1.9 mm? -117.75 -171.61 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.86 123.95 20.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.116 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -93.45 -164.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.47 -100.1 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 CA-C-O 123.457 1.587 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.769 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.32 61.56 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.821 -2.658 . . . . 0.0 117.634 -172.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.666 2.03 . . . . 0.0 109.316 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 1.6 t-105 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.06 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt 65.51 10.13 6.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -68.43 172.38 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 2.6 p 156.08 57.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -27.21 66.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.47 -171.86 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.61 101.22 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD11 ' HE1' ' A' ' 23' ' ' TRP . 2.6 tp -63.13 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -109.44 -157.88 17.71 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 123.46 1.589 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -52.67 66.1 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 CA-C-O 113.799 -2.667 . . . . 0.0 117.608 -172.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 174.03 -28.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 121.722 2.055 . . . . 0.0 109.27 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 61.53 14.45 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 1.045 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.64 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.627 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 70.49 100.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.76 -19.19 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.76 -171.38 2.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.67 122.99 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.045 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -93.27 -164.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.46 -99.92 0.16 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-O 123.492 1.607 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.768 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -57.84 61.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.141 0 CA-C-O 113.757 -2.685 . . . . 0.0 117.592 -172.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.37 -21.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 121.738 2.063 . . . . 0.0 109.265 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.7 t-105 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tttt 68.24 8.91 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.54 -175.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 63.26 117.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -114.84 -17.57 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -143.43 -170.67 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 -39.27 121.86 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -61.03 -155.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -122.1 -161.0 11.15 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 123.431 1.573 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.52 36.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 CA-C-O 113.816 -2.66 . . . . 0.0 117.612 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -168.86 31.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 121.684 2.038 . . . . 0.0 109.291 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' TRP . 37.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 49.52 23.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -51.66 170.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' CB ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.06 89.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -59.83 -25.14 64.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LEU . 7.4 mt -102.25 -149.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' LEU . 10.7 m120 -37.95 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.063 HD23 ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -62.49 -155.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.81 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-O 123.511 1.617 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -58.11 23.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.168 0 CA-C-O 113.808 -2.664 . . . . 0.0 117.628 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 25.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 121.749 2.068 . . . . 0.0 109.34 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.063 ' CE3' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER 48.33 24.19 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.542 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -52.04 173.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.996 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 0.7 OUTLIER 155.21 81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 108.276 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -114.02 -20.16 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.2 -171.7 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.31 111.91 8.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -80.36 -155.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.58 -106.55 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-O 123.488 1.604 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.761 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -58.04 59.69 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 CA-C-O 113.741 -2.691 . . . . 0.0 117.561 -172.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.92 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 121.759 2.072 . . . . 0.0 109.308 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CH2' ' HG2' ' A' ' 22' ' ' LYS . 1.5 t-105 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 108.006 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 25.6 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 5.3 pttt 48.84 22.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -72.12 -177.47 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.719 ' HB2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 67.53 101.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -18.01 17.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -109.43 -168.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -74.6 118.55 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.719 HD13 ' HB2' ' A' ' 24' ' ' CYS . 3.7 tp -88.46 -163.7 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.16 -100.03 0.15 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 123.551 1.639 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.748 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -57.19 61.44 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.106 0 CA-C-O 113.782 -2.674 . . . . 0.0 117.625 -172.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.24 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 121.718 2.054 . . . . 0.0 109.294 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.678 ' HB2' HD23 ' A' ' 28' ' ' LEU . 1.7 t-105 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 107.997 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 8.21 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -67.97 -175.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.841 ' HB2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 67.98 96.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 108.32 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -20.78 22.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mt -114.7 -169.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.27 122.48 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 24' ' ' CYS . 3.5 tp -83.09 -164.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -152.14 -103.81 0.25 Allowed Glycine 0 CA--C 1.53 1.027 0 CA-C-O 123.545 1.636 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.756 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -56.66 59.43 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.819 -2.659 . . . . 0.0 117.627 -172.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.18 -19.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.686 2.039 . . . . 0.0 109.279 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.599 ' HB2' HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' TRP . 17.2 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CD ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 41.41 28.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.596 ' CH2' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.76 179.34 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 15.0 p -171.0 128.07 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HA ' ' CH2' ' A' ' 23' ' ' TRP . 1.9 ttm105 -71.62 -12.77 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.37 -153.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -94.33 134.25 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.742 HD11 ' CG ' ' A' ' 32' ' ' TRP . 1.9 tp -82.91 -170.6 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 109.0 -114.05 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 123.487 1.604 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.787 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.63 61.26 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 CA-C-O 113.784 -2.673 . . . . 0.0 117.579 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 151.88 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.667 2.03 . . . . 0.0 109.313 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.742 ' CG ' HD11 ' A' ' 28' ' ' LEU . 16.3 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 pttt 43.94 27.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.715 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -56.85 -167.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.964 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.715 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -39.49 101.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -113.71 -20.16 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -141.98 -170.96 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -46.82 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 32' ' ' TRP . 4.9 tp -66.68 -164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.35 -100.42 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 123.459 1.588 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.758 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.47 62.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 CA-C-O 113.743 -2.691 . . . . 0.0 117.569 -172.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.26 -21.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 121.841 2.11 . . . . 0.0 109.315 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.71 ' HB2' HD23 ' A' ' 28' ' ' LEU . 1.4 t-105 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 107.966 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 38.35 30.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.68 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -62.76 -175.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.001 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.857 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -107.59 90.95 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.753 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -82.44 -27.01 32.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD22 ' H ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.21 -171.44 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.228 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.82 97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 24' ' ' CYS . 5.2 tp -61.2 -164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -166.98 -100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 CA-C-O 123.479 1.6 . . . . 0.0 111.065 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.755 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.44 62.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.133 0 CA-C-O 113.734 -2.694 . . . . 0.0 117.554 -172.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.755 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 156.19 -21.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 121.811 2.096 . . . . 0.0 109.356 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.696 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.7 t-105 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 11.04 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -67.76 172.61 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.956 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.88 101.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 1.2 ttt180 -67.44 -18.59 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.628 ' H ' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.71 -159.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.58 139.42 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HB3' ' CB ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -129.52 -158.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -106.98 -123.71 5.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 123.428 1.571 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.745 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -53.74 62.48 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-O 113.715 -2.702 . . . . 0.0 117.634 -172.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.63 -20.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 121.759 2.072 . . . . 0.0 109.318 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CB ' ' HB3' ' A' ' 28' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 107.996 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 11.69 5.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.526 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -69.23 174.05 5.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.059 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.607 ' HA ' HD13 ' A' ' 28' ' ' LEU . 1.8 p 157.91 67.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB3' HD12 ' A' ' 26' ' ' LEU . 11.1 ttt85 -92.98 -24.7 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 25' ' ' ARG . 4.5 mp -138.43 -171.49 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -42.32 115.54 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.69 HD23 ' CE3' ' A' ' 32' ' ' TRP . 5.3 tp -83.38 -163.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.53 -175.43 22.8 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 123.501 1.612 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -60.6 39.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.158 0 CA-C-O 113.817 -2.66 . . . . 0.0 117.636 -172.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.58 34.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.738 2.063 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CE3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 107.996 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.05 20.22 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.71 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.712 ' HB3' HD13 ' A' ' 28' ' ' LEU . 22.2 p 44.71 85.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' HD23 ' A' ' 26' ' ' LEU . 3.5 tpt180 -71.92 -20.42 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -127.14 -172.39 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.85 153.72 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.862 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -123.9 -162.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -173.38 3.3 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 123.446 1.581 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -60.98 39.44 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 CA-C-O 113.822 -2.657 . . . . 0.0 117.593 -172.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.98 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.742 2.064 . . . . 0.0 109.357 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 107.991 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt 62.12 13.01 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.634 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -64.96 -174.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' CZ2' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -100.62 82.96 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 108.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' CD ' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.07 -29.37 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' CD ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -144.91 -170.75 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.68 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.6 tp -66.65 -164.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.75 -100.13 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 123.478 1.599 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.756 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -56.89 61.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 CA-C-O 113.792 -2.67 . . . . 0.0 117.633 -172.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 121.686 2.039 . . . . 0.0 109.264 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CD1' ' SG ' ' A' ' 24' ' ' CYS . 1.7 t-105 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.935 ' O ' HD13 ' A' ' 28' ' ' LEU . 5.5 mtpt 59.36 30.26 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -74.56 -176.04 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.995 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.854 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.2 m 166.98 130.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -47.53 -19.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 24' ' ' CYS . 4.9 mp -101.81 -168.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.86 119.83 33.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.935 HD13 ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -87.73 -165.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 93.54 -125.93 8.42 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 123.437 1.576 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.782 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.6 Cg_endo -50.67 61.49 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.174 0 CA-C-O 113.728 -2.697 . . . . 0.0 117.566 -172.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.782 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 151.59 -8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 121.744 2.066 . . . . 0.0 109.319 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CD1' HD11 ' A' ' 28' ' ' LEU . 11.9 t-105 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' TRP . 1.6 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.678 ' HA ' HD23 ' A' ' 26' ' ' LEU . 4.2 mttm -66.86 56.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.788 ' O ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -86.54 178.38 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 108.079 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' C ' ' H ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 83.36 -163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.575 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -46.85 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -56.36 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.99 61.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -103.96 -153.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 177.39 -106.77 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 CA-C-O 123.513 1.618 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.734 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.5 64.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 CA-C-O 113.693 -2.711 . . . . 0.0 117.582 -172.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.23 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.751 2.068 . . . . 0.0 109.306 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.668 ' CZ3' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t-105 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 107.981 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TRP . 55.3 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.79 25.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.704 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -55.6 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.976 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.704 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 22.1 p 44.46 74.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -105.14 -20.43 13.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.98 -167.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -77.16 72.53 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' N ' ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -54.66 -171.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -139.95 -145.38 4.67 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 123.452 1.584 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -49.45 4.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.104 0 CA-C-O 113.79 -2.671 . . . . 0.0 117.541 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -132.83 73.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 121.818 2.099 . . . . 0.0 109.345 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.677 ' CH2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.598 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 2.9 pt-20 -179.18 66.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 93.5 m95 -162.02 146.28 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.468 1.604 . . . . 0.0 107.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.2 87.28 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 CA-C-O 113.776 -2.677 . . . . 0.0 117.617 -172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.585 ' CE3' ' O ' ' A' ' 5' ' ' TRP . 48.6 p-90 -131.05 41.32 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 121.716 2.053 . . . . 0.0 108.0 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' ARG . 24.3 p30 -96.44 154.71 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.36 87.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -69.32 160.97 30.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.888 1.328 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . 0.487 ' C ' ' OG1' ' A' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.67 HG22 ' H ' ' A' ' 11' ' ' LYS . 3.2 m -153.81 -165.33 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.41 172.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.67 ' H ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER 38.69 82.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.233 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.57 169.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.859 1.314 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.504 ' HA ' HD23 ' A' ' 15' ' ' HYP . 0.3 OUTLIER 60.59 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 122.88 1.324 . . . . 0.0 109.319 172.147 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.504 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -38.92 94.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 122.872 1.32 . . . . 0.0 109.96 172.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 5.5 t30 -68.51 -52.15 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.918 1.342 . . . . 0.0 109.334 172.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.55 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 38.7 52.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.311 172.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -150.41 99.58 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 1.067 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt 68.48 8.92 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.599 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -59.62 -177.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 78.24 118.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.374 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -114.41 -16.66 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.14 -172.05 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -66.09 119.12 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.581 ' CD2' ' CE3' ' A' ' 32' ' ' TRP . 2.0 tp -77.0 -157.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -144.55 -96.09 0.21 Allowed Glycine 0 CA--C 1.531 1.044 0 CA-C-O 123.483 1.601 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -39.95 77.31 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 CA-C-O 113.726 -2.698 . . . . 0.0 117.628 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 30' ' ' PRO . . . 95.95 28.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 121.721 2.055 . . . . 0.0 109.261 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.581 ' CE3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -139.53 -154.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 107.963 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . 122.75 130.65 3.71 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.07 -59.05 0.56 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' GLY . 1.2 mmm180 -70.0 -178.83 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.449 ' C ' ' NE1' ' A' ' 32' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.401 ' C ' ' CD ' ' A' ' 2' ' ' GLU . 1.6 t90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 1' ' ' TRP . 8.0 pm0 42.57 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -113.75 148.05 38.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 123.483 1.611 . . . . 0.0 108.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.8 86.99 0.17 Allowed 'Trans proline' 0 CA--C 1.568 2.181 0 CA-C-O 113.752 -2.687 . . . . 0.0 117.559 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.441 ' O ' ' CE3' ' A' ' 5' ' ' TRP . 34.7 p-90 -154.63 49.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 121.742 2.064 . . . . 0.0 108.077 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 172.06 107.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.058 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 70.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.12 72.13 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.788 1.28 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LYS . 2.7 m -50.22 170.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.412 172.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.7 OUTLIER 38.69 84.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.08 168.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.893 1.33 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.69 HG22 HD22 ' A' ' 15' ' ' HYP . 0.6 OUTLIER -101.43 135.14 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.889 1.328 . . . . 0.0 109.254 172.171 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.69 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 160.33 25.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.848 1.309 . . . . 0.0 109.996 172.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -129.28 159.99 34.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.896 1.332 . . . . 0.0 109.293 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.493 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 38.59 30.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.317 172.129 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' C ' ' A' ' 19' ' ' HYP . 5.7 t0 -58.15 -153.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -66.89 55.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 1.166 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.34 -174.68 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 108.038 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 11.0 t 74.78 41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -73.46 -21.26 60.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -121.76 -172.03 2.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -63.67 123.66 19.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.166 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tp -94.13 -163.94 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.19 -99.46 0.14 Allowed Glycine 0 CA--C 1.529 0.937 0 CA-C-O 123.467 1.593 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.732 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.0 61.66 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.144 0 CA-C-O 113.727 -2.697 . . . . 0.0 117.586 -172.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 156.24 -21.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 121.775 2.08 . . . . 0.0 109.24 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.82 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.1 t-105 -130.55 -148.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 108.033 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' GLY . . . 178.95 -121.96 0.78 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . 36.65 -143.83 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -136.57 77.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.1 p-90 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.53 93.39 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.2 m95 65.47 146.25 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 123.457 1.599 . . . . 0.0 108.048 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.87 87.16 0.14 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 CA-C-O 113.781 -2.675 . . . . 0.0 117.588 -172.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -141.81 -113.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 121.68 2.036 . . . . 0.0 108.006 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -164.54 159.32 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 48.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER 40.62 72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.845 1.307 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . 0.616 ' C ' ' CG2' ' A' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.616 ' CG2' ' C ' ' A' ' 9' ' ' HYP . 0.2 OUTLIER 46.51 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 172.152 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' N ' ' OG1' ' A' ' 10' ' ' THR . 8.3 tttt -133.38 54.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 0.9 OUTLIER 45.87 -177.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.846 1.308 . . . . 0.0 111.071 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.468 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' C ' ' A' ' 13' ' ' HYP . 3.0 mt -128.78 133.99 65.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.882 1.325 . . . . 0.0 109.348 172.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.443 HD22 ' CG2' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m 55.01 164.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.875 1.322 . . . . 0.0 110.029 172.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.538 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 2.1 t30 -68.81 -53.42 21.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.8 1.286 . . . . 0.0 109.222 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.538 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 40.87 54.33 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.349 172.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -149.65 100.22 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 66.64 10.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 1.116 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.96 -175.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.664 ' SG ' HD13 ' A' ' 28' ' ' LEU . 42.3 t 68.56 40.68 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.32 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.726 ' C ' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -73.56 -20.29 60.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.726 HD22 ' C ' ' A' ' 25' ' ' ARG . 1.9 mm? -117.75 -171.61 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -64.86 123.95 20.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.116 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -93.45 -164.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.47 -100.1 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 CA-C-O 123.457 1.587 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.769 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.9 Cg_endo -57.32 61.56 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.821 -2.658 . . . . 0.0 117.634 -172.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.666 2.03 . . . . 0.0 109.316 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 1.6 t-105 -133.19 -148.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.06 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.26 130.02 2.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . 85.0 92.36 0.79 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 47.27 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 0.761 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 108.293 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -177.66 176.32 1.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -135.07 143.95 48.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 123.453 1.597 . . . . 0.0 108.019 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.08 85.54 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.178 0 CA-C-O 113.776 -2.677 . . . . 0.0 117.595 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.402 ' CE3' ' O ' ' A' ' 5' ' ' TRP . 28.0 p-90 -153.11 26.41 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 121.732 2.06 . . . . 0.0 108.012 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 61.58 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -81.42 55.11 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.95 77.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.798 1.285 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 2.4 p -71.76 135.03 46.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.671 -1.149 . . . . 0.0 110.442 172.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -144.83 59.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -134.18 171.0 14.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.878 1.323 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.416 ' CD ' ' HB2' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.512 ' HA ' HD23 ' A' ' 15' ' ' HYP . 13.4 tt -57.33 133.16 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 122.795 1.284 . . . . 0.0 109.326 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.512 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.1 OUTLIER -71.92 -53.58 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.913 1.34 . . . . 0.0 109.986 172.119 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.499 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.38 161.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.833 1.301 . . . . 0.0 109.318 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 178.16 36.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.281 172.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.55 123.34 24.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt 65.51 10.13 6.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.54 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -68.43 172.38 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 2.6 p 156.08 57.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -27.21 66.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.47 -171.86 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.649 ' ND2' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -77.61 101.22 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD11 ' HE1' ' A' ' 23' ' ' TRP . 2.6 tp -63.13 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -109.44 -157.88 17.71 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-O 123.46 1.589 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -52.67 66.1 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 CA-C-O 113.799 -2.667 . . . . 0.0 117.608 -172.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 174.03 -28.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 121.722 2.055 . . . . 0.0 109.27 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -115.05 -150.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . 174.26 124.19 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.649 ' H ' ' ND2' ' A' ' 27' ' ' ASN . . . -37.87 -30.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' GLY . 1.9 tpt180 -64.36 75.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 0.809 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 26.0 t90 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.52 58.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -81.32 146.5 58.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 123.414 1.578 . . . . 0.0 108.045 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.08 87.11 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 CA-C-O 113.757 -2.684 . . . . 0.0 117.621 -172.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -129.4 -114.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 121.727 2.058 . . . . 0.0 107.969 179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.425 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.3 t-20 57.59 108.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -116.47 66.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.69 81.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.795 1.283 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 11' ' ' LYS . 3.2 m -90.79 179.65 5.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.408 172.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' H ' HG22 ' A' ' 10' ' ' THR . 1.6 tttp -140.23 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -44.45 169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.823 1.297 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.506 ' C ' ' CG1' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.688 HG22 HD22 ' A' ' 15' ' ' HYP . 1.6 mt -148.19 134.85 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.9 1.333 . . . . 0.0 109.273 172.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.688 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.515 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.0 OUTLIER 168.36 -52.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.904 1.335 . . . . 0.0 110.04 172.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.515 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -130.49 91.07 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.793 1.282 . . . . 0.0 109.344 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.61 27.42 9.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.339 172.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -93.68 101.39 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 61.53 14.45 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 1.045 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.64 -176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.627 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 70.49 100.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.76 -19.19 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -128.76 -171.38 2.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.67 122.99 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.045 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -93.27 -164.05 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.46 -99.92 0.16 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-O 123.492 1.607 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.768 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -57.84 61.22 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.141 0 CA-C-O 113.757 -2.685 . . . . 0.0 117.592 -172.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.37 -21.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 121.738 2.063 . . . . 0.0 109.265 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.7 t-105 -137.5 -148.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.88 130.25 3.11 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.98 -126.93 8.47 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 86.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 110.271 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.259 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.49 112.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.432 ' CB ' ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -63.61 159.74 49.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 123.507 1.622 . . . . 0.0 107.968 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -61.29 -88.67 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 CA-C-O 113.827 -2.655 . . . . 0.0 117.61 -172.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m95 68.85 95.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 121.705 2.048 . . . . 0.0 107.949 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.88 172.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -130.03 82.95 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 160.73 25.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.846 1.308 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 11' ' ' LYS . 8.3 m -147.68 -178.31 6.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.481 172.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -113.28 136.62 52.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -120.51 167.31 12.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 122.901 1.334 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.429 ' O ' HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 13' ' ' HYP . 0.4 OUTLIER 60.78 136.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 122.798 1.285 . . . . 0.0 109.35 172.123 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.423 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m 69.46 164.07 0.25 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 122.878 1.323 . . . . 0.0 110.004 172.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.1 t-20 -66.21 -51.53 56.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.873 1.32 . . . . 0.0 109.291 172.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 4.4 ttt180 38.65 53.54 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.239 172.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.72 100.28 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tttt 68.24 8.91 6.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.54 -175.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.5 OUTLIER 63.26 117.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.303 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -114.84 -17.57 11.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -143.43 -170.67 3.34 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 -39.27 121.86 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -61.03 -155.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -122.1 -161.0 11.15 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 123.431 1.573 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -58.52 36.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 CA-C-O 113.816 -2.66 . . . . 0.0 117.612 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -168.86 31.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 121.684 2.038 . . . . 0.0 109.291 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CE3' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -141.46 -154.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.82 -131.35 5.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -113.93 146.13 18.56 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER 47.02 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 0.73 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 2' ' ' GLU . 31.7 p-90 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 1' ' ' TRP . 0.2 OUTLIER -50.73 112.02 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 0.0 110.238 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.512 ' NE1' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -134.69 140.18 34.64 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 123.492 1.615 . . . . 0.0 108.034 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.43 10.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 CA-C-O 113.754 -2.686 . . . . 0.0 117.574 -172.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.512 ' CD1' ' NE1' ' A' ' 3' ' ' TRP . 8.8 m95 41.86 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 121.761 2.073 . . . . 0.0 107.984 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ARG . 33.9 p-10 -82.57 168.06 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.32 89.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.25 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -107.76 160.88 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.867 1.318 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.613 HG22 ' H ' ' A' ' 11' ' ' LYS . 28.0 m -114.4 177.91 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.449 172.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.613 ' H ' HG22 ' A' ' 10' ' ' THR . 0.9 OUTLIER -101.34 155.97 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -122.03 170.5 9.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.82 1.295 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.676 HG22 HD22 ' A' ' 15' ' ' HYP . 0.6 OUTLIER -76.26 134.97 27.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 122.834 1.302 . . . . 0.0 109.345 172.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.676 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.549 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.2 OUTLIER -64.2 -50.5 67.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.846 1.307 . . . . 0.0 109.983 172.122 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.549 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' HYP . 3.7 m-80 -106.22 168.97 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.838 1.304 . . . . 0.0 109.347 172.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.526 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 1.4 ttp85 38.24 30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.307 172.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.526 ' N ' ' C ' ' A' ' 19' ' ' HYP . 37.5 m-20 -75.36 97.97 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 49.52 23.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -51.66 170.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 108.011 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' CB ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.06 89.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -59.83 -25.14 64.75 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LEU . 7.4 mt -102.25 -149.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.178 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 10.7 m120 -37.95 98.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.063 HD23 ' CE3' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -62.49 -155.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.81 -121.19 1.29 Allowed Glycine 0 CA--C 1.53 0.998 0 CA-C-O 123.511 1.617 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -58.11 23.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.168 0 CA-C-O 113.808 -2.664 . . . . 0.0 117.628 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 25.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 121.749 2.068 . . . . 0.0 109.34 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.063 ' CE3' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -147.92 -143.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.85 112.66 0.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.59 -105.14 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 169.33 132.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 32.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.324 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.6 m95 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -39.1 148.79 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.4 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -144.26 59.41 6.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 123.406 1.574 . . . . 0.0 108.011 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -63.72 86.95 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.169 0 CA-C-O 113.823 -2.657 . . . . 0.0 117.555 -172.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' CE3' ' A' ' 5' ' ' TRP . 43.5 p-90 -165.37 47.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 121.711 2.051 . . . . 0.0 107.996 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ARG . 43.9 m-20 -126.26 -177.06 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.36 87.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 46.25 85.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.86 1.314 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.464 ' CB ' ' CE2' ' A' ' 12' ' ' PHE . 1.9 p -59.23 136.94 58.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 172.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -110.64 85.93 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CE2' ' CB ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -123.23 167.08 14.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.855 1.312 . . . . 0.0 111.064 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.64 HG22 HD22 ' A' ' 15' ' ' HYP . 3.5 mt -94.26 134.76 30.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 122.893 1.33 . . . . 0.0 109.284 172.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.64 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m 55.56 165.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.895 1.331 . . . . 0.0 110.005 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' CG ' ' CD ' ' A' ' 19' ' ' HYP . 2.6 t30 -173.82 171.69 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.806 1.288 . . . . 0.0 109.321 172.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.421 ' CD ' ' CG ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -106.36 28.11 8.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -75.44 96.97 3.55 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' HG2' ' CH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER 48.33 24.19 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.542 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -52.04 173.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.996 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' TRP . 0.7 OUTLIER 155.21 81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 108.276 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -114.02 -20.16 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.2 -171.7 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.31 111.91 8.88 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -80.36 -155.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.062 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.58 -106.55 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-O 123.488 1.604 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.761 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -58.04 59.69 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 CA-C-O 113.741 -2.691 . . . . 0.0 117.561 -172.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.761 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.92 -20.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 121.759 2.072 . . . . 0.0 109.308 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CH2' ' HG2' ' A' ' 22' ' ' LYS . 1.5 t-105 -128.6 -147.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 108.006 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . . . 179.68 124.06 0.87 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -36.56 155.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.13 74.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.734 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 13.5 p90 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.584 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 6.3 pt-20 -171.83 144.14 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -163.25 162.18 17.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 123.488 1.613 . . . . 0.0 107.973 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.579 ' O ' ' CD1' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.76 -97.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.147 0 CA-C-O 113.789 -2.671 . . . . 0.0 117.585 -172.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 4' ' ' PRO . 34.6 p-90 44.78 49.95 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 121.681 2.037 . . . . 0.0 108.008 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -121.96 80.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.504 ' O ' ' CD ' ' A' ' 9' ' ' HYP . 0.1 OUTLIER -151.59 88.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.824 1.297 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . 0.504 ' CD ' ' O ' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . 2.7 m -83.26 169.9 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 172.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' THR . 8.6 tttp 38.7 85.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -43.12 168.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.879 1.323 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.412 ' HA ' HD23 ' A' ' 15' ' ' HYP . 0.1 OUTLIER 60.6 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.847 1.308 . . . . 0.0 109.262 172.128 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.412 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -56.61 163.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.847 1.308 . . . . 0.0 110.045 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.404 ' O ' ' O ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HYP . 25.2 t-20 40.32 91.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.829 1.299 . . . . 0.0 109.312 172.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -132.39 23.81 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 172.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 25.6 t0 -104.2 125.8 50.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 5.3 pttt 48.84 22.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.642 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -72.12 -177.47 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.719 ' HB2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 67.53 101.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -18.01 17.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -109.43 -168.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -74.6 118.55 17.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.719 HD13 ' HB2' ' A' ' 24' ' ' CYS . 3.7 tp -88.46 -163.7 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.16 -100.03 0.15 Allowed Glycine 0 CA--C 1.529 0.958 0 CA-C-O 123.551 1.639 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.748 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -57.19 61.44 0.04 OUTLIER 'Trans proline' 0 CA--C 1.566 2.106 0 CA-C-O 113.782 -2.674 . . . . 0.0 117.625 -172.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.24 -21.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 121.718 2.054 . . . . 0.0 109.294 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.678 ' HB2' HD23 ' A' ' 28' ' ' LEU . 1.7 t-105 -135.42 -147.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 107.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 129.88 3.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.88 -153.45 17.62 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -60.97 102.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.362 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.543 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 2.5 m-90 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 1' ' ' TRP . 9.4 pt-20 42.21 54.48 4.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.23 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 1' ' ' TRP . 54.1 m95 -128.74 65.31 72.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 123.531 1.634 . . . . 0.0 108.05 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.94 91.27 0.17 Allowed 'Trans proline' 0 CA--C 1.567 2.151 0 CA-C-O 113.735 -2.694 . . . . 0.0 117.633 -172.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -90.78 45.86 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 121.795 2.089 . . . . 0.0 107.978 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -125.69 119.51 28.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 83.24 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 66.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.924 1.345 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -115.15 173.22 6.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.44 172.12 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' N ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -140.15 56.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.633 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 1.1 m-30 -59.79 -72.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.855 1.312 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.633 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.698 HG22 HD22 ' A' ' 15' ' ' HYP . 0.2 OUTLIER -121.76 134.89 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.876 1.322 . . . . 0.0 109.334 172.044 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.698 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.17 93.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.82 1.295 . . . . 0.0 110.017 172.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.497 ' CD ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -172.15 140.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.894 1.331 . . . . 0.0 109.26 172.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.04 36.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 172.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.19 114.2 4.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.42 8.21 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.636 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -67.97 -175.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 108.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.841 ' HB2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 67.98 96.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 108.32 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -20.78 22.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 7.9 mt -114.7 -169.39 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.27 122.48 22.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 24' ' ' CYS . 3.5 tp -83.09 -164.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -152.14 -103.81 0.25 Allowed Glycine 0 CA--C 1.53 1.027 0 CA-C-O 123.545 1.636 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.756 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -56.66 59.43 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.819 -2.659 . . . . 0.0 117.627 -172.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.18 -19.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.686 2.039 . . . . 0.0 109.279 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.599 ' HB2' HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -139.01 -147.03 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . -155.13 -127.82 1.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.85 -166.24 16.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 39.45 76.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.786 . . . . 0.0 110.339 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 16.3 m0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.45 123.39 25.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -49.03 148.68 3.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 123.514 1.626 . . . . 0.0 108.008 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.66 28.52 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 CA-C-O 113.778 -2.676 . . . . 0.0 117.563 -172.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -80.56 -23.11 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 121.806 2.094 . . . . 0.0 108.036 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 40.43 56.43 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.95 49.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.203 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 80.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.857 1.313 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 11' ' ' LYS . 16.5 m -143.64 175.46 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.357 172.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.524 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -54.3 107.75 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -116.01 168.74 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.807 1.289 . . . . 0.0 111.042 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.666 HG22 HD22 ' A' ' 15' ' ' HYP . 2.8 mm -97.22 134.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 122.889 1.328 . . . . 0.0 109.294 172.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.666 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 61.4 m -147.8 84.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.855 1.312 . . . . 0.0 109.996 172.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.506 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 0.9 OUTLIER -74.72 -57.96 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.849 1.309 . . . . 0.0 109.301 172.142 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.506 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 43.16 47.23 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.28 172.126 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 23' ' ' TRP . 17.2 t0 -100.16 123.32 44.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CD ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 41.41 28.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.596 ' CH2' ' HA ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -69.76 179.34 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 15.0 p -171.0 128.07 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HA ' ' CH2' ' A' ' 23' ' ' TRP . 1.9 ttm105 -71.62 -12.77 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -116.37 -153.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.365 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -94.33 134.25 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 36' ' ' CYS . 1.9 tp -82.91 -170.6 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 109.0 -114.05 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 123.487 1.604 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.787 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.63 61.26 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 CA-C-O 113.784 -2.673 . . . . 0.0 117.579 -172.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 151.88 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 121.667 2.03 . . . . 0.0 109.313 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.742 ' CG ' HD11 ' A' ' 28' ' ' LEU . 16.3 t-105 -120.74 -144.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.41 127.53 0.94 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.83 -128.56 3.03 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -141.6 103.9 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 110.268 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.922 ' HB2' HD22 ' A' ' 28' ' ' LEU . 50.7 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 108.257 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.94 138.42 54.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -57.48 146.49 63.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 123.387 1.565 . . . . 0.0 108.065 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.25 87.25 0.16 Allowed 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.814 -2.661 . . . . 0.0 117.6 -172.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 5' ' ' TRP . 36.1 p-90 -175.5 49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 121.748 2.067 . . . . 0.0 107.975 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' ARG . 7.7 p30 -104.2 126.77 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 35.97 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HA ' HD23 ' A' ' 9' ' ' HYP . 2.1 ttmt -40.82 139.22 0.88 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.873 1.32 . . . . 0.0 109.229 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . 0.445 HD23 ' HA ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 11' ' ' LYS . 29.1 m -88.4 177.9 6.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.402 172.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -64.45 119.58 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 13.8 m-85 -65.05 171.89 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.82 1.295 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.482 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.579 HG23 HD22 ' A' ' 15' ' ' HYP . 19.0 mt -43.83 134.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 122.884 1.326 . . . . 0.0 109.279 172.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.579 HD22 HG23 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER 176.1 -53.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.87 1.319 . . . . 0.0 110.03 172.134 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.497 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -117.53 165.48 13.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.928 1.346 . . . . 0.0 109.286 172.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.486 ' C ' ' N ' ' A' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 15.9 ttp180 37.55 33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 172.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' N ' ' C ' ' A' ' 19' ' ' HYP . 4.3 m-20 -68.61 99.48 1.0 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 pttt 43.94 27.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.715 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -56.85 -167.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 107.964 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.715 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -39.49 101.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -113.71 -20.16 11.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -141.98 -170.96 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -46.82 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.71 HD23 ' HB2' ' A' ' 32' ' ' TRP . 4.9 tp -66.68 -164.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.35 -100.42 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 CA-C-O 123.459 1.588 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.758 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.47 62.09 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 CA-C-O 113.743 -2.691 . . . . 0.0 117.569 -172.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.26 -21.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 121.841 2.11 . . . . 0.0 109.315 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.71 ' HB2' HD23 ' A' ' 28' ' ' LEU . 1.4 t-105 -120.52 -149.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 107.966 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.28 -129.78 2.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.31 -78.75 0.43 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.13 178.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.733 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' C ' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.309 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -161.74 31.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -48.6 146.57 4.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 123.411 1.577 . . . . 0.0 108.076 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -64.45 85.27 0.16 Allowed 'Trans proline' 0 CA--C 1.567 2.143 0 CA-C-O 113.764 -2.682 . . . . 0.0 117.596 -172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -125.27 -114.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 121.758 2.072 . . . . 0.0 108.045 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -81.23 163.09 23.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -112.04 58.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.38 161.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.808 1.289 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.6 HG22 ' H ' ' A' ' 11' ' ' LYS . 55.2 m -58.29 177.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.446 172.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.6 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -78.17 157.52 29.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -42.35 167.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.856 1.313 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 14' ' ' ILE . 1.2 tp -49.6 132.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 122.834 1.302 . . . . 0.0 109.33 172.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.439 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.524 ' CB ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER -175.39 177.87 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 122.907 1.337 . . . . 0.0 109.926 172.103 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.524 ' CD ' ' CB ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.452 ' HB3' ' CD ' ' A' ' 19' ' ' HYP . 56.7 m-80 -101.21 170.51 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.822 1.296 . . . . 0.0 109.302 172.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.452 ' CD ' ' HB3' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -157.22 25.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.265 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -76.87 116.48 17.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 38.35 30.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.68 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -62.76 -175.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.001 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.857 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -107.59 90.95 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.753 ' HB3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -82.44 -27.01 32.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD22 ' H ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -145.21 -171.44 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.228 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.82 97.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 24' ' ' CYS . 5.2 tp -61.2 -164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -166.98 -100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 CA-C-O 123.479 1.6 . . . . 0.0 111.065 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.755 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -55.44 62.45 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.133 0 CA-C-O 113.734 -2.694 . . . . 0.0 117.554 -172.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.755 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 156.19 -21.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 121.811 2.096 . . . . 0.0 109.356 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.696 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.7 t-105 -127.69 -147.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.42 -130.2 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 35' ' ' ARG . . . -89.14 -150.25 22.07 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER 49.42 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 5.6 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.1 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -129.07 117.0 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -127.63 66.04 68.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 123.514 1.625 . . . . 0.0 107.955 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.551 ' O ' ' CG ' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -63.81 14.62 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 CA-C-O 113.686 -2.714 . . . . 0.0 117.547 -172.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 1.8 m0 88.85 -16.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 121.821 2.101 . . . . 0.0 108.025 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 7' ' ' ARG . 20.1 p-10 -43.47 126.61 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 36.19 84.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.332 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' N ' HD23 ' A' ' 9' ' ' HYP . 1.4 tmtp? -138.47 66.39 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.885 1.326 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . 0.409 HD23 ' N ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -117.15 173.27 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 172.121 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' N ' ' OG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -72.52 96.81 1.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.373 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' HB3' ' CD ' ' A' ' 13' ' ' HYP . 9.4 m-85 -73.04 173.14 9.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.877 1.322 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.453 ' CD ' ' HB3' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.598 HG23 HD22 ' A' ' 15' ' ' HYP . 3.3 mt -41.97 134.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.873 1.32 . . . . 0.0 109.288 172.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.598 HD22 HG23 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.73 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.881 1.324 . . . . 0.0 109.999 172.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.481 ' N ' ' O ' ' A' ' 15' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.673 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 6.0 t-20 158.79 -42.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.823 1.297 . . . . 0.0 109.253 172.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.673 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -139.53 27.22 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 172.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.12 124.16 28.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 11.04 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -67.76 172.61 5.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.956 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 0.1 OUTLIER 165.88 101.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' HB2' ' CH2' ' A' ' 23' ' ' TRP . 1.2 ttt180 -67.44 -18.59 65.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.628 HD22 ' H ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.71 -159.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.58 139.42 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HB3' ' CB ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -129.52 -158.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -106.98 -123.71 5.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 123.428 1.571 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.745 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -53.74 62.48 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 CA-C-O 113.715 -2.702 . . . . 0.0 117.634 -172.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 154.63 -20.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 121.759 2.072 . . . . 0.0 109.318 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CB ' ' HB3' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -119.73 -147.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 107.996 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.92 -123.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 28' ' ' LEU . . . -139.1 106.83 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 3.6 tpt180 59.98 148.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.604 0.826 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.448 ' HA ' ' CE3' ' A' ' 1' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.25 49.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.447 ' HB3' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -66.09 156.86 83.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 123.497 1.618 . . . . 0.0 108.01 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.05 27.76 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 CA-C-O 113.752 -2.687 . . . . 0.0 117.652 -172.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 3' ' ' TRP . 1.3 p-90 -124.99 -114.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 121.711 2.05 . . . . 0.0 108.068 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.0 t30 66.84 179.52 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 109.244 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -87.64 48.47 1.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.46 160.42 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.805 1.288 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.431 HG22 ' H ' ' A' ' 11' ' ' LYS . 2.5 m -95.85 175.96 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.464 172.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' H ' HG22 ' A' ' 10' ' ' THR . 5.5 tttt -86.03 54.94 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.634 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 1.7 m-85 -60.09 -72.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.815 1.293 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.634 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.651 HG22 HD22 ' A' ' 15' ' ' HYP . 1.0 OUTLIER -95.2 134.98 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 122.825 1.298 . . . . 0.0 109.264 172.195 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.651 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.73 170.09 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.87 1.319 . . . . 0.0 110.012 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.0 OUTLIER 171.02 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.846 1.307 . . . . 0.0 109.318 172.154 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.545 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' C ' ' O ' ' A' ' 19' ' ' HYP . 9.7 ptt85 27.21 46.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.337 172.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' HYP . 0.0 OUTLIER -127.17 122.36 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 11.69 5.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.526 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -69.23 174.05 5.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 108.059 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.607 ' HA ' HD13 ' A' ' 28' ' ' LEU . 1.8 p 157.91 67.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.574 ' HB3' HD12 ' A' ' 26' ' ' LEU . 11.1 ttt85 -92.98 -24.7 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 25' ' ' ARG . 4.5 mp -138.43 -171.49 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -42.32 115.54 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.69 HD23 ' CE3' ' A' ' 32' ' ' TRP . 5.3 tp -83.38 -163.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.53 -175.43 22.8 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 123.501 1.612 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -60.6 39.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.158 0 CA-C-O 113.817 -2.66 . . . . 0.0 117.636 -172.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.58 34.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 121.738 2.063 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CE3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -140.57 -154.21 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 107.996 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.34 130.61 4.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.44 -109.46 3.08 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 93.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.507 ' C ' ' CD1' ' A' ' 32' ' ' TRP . 1.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 4' ' ' PRO . 9.9 pt-20 -179.7 171.41 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' GLU . 41.3 m95 -42.47 99.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 123.505 1.621 . . . . 0.0 107.998 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' N ' ' O ' ' A' ' 2' ' ' GLU . 57.8 Cg_endo -62.59 88.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.135 0 CA-C-O 113.739 -2.692 . . . . 0.0 117.62 -172.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -132.64 -114.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 121.773 2.079 . . . . 0.0 108.076 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -178.78 65.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -154.97 96.8 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -136.62 68.01 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.878 1.323 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -114.09 173.35 6.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.431 172.147 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -66.55 118.62 10.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' N ' ' CD ' ' A' ' 13' ' ' HYP . 0.1 OUTLIER 162.31 -78.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.841 1.305 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.566 ' CD ' ' N ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 HD22 ' A' ' 15' ' ' HYP . 23.3 mm -117.22 134.58 60.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 122.832 1.301 . . . . 0.0 109.337 172.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.604 HD22 HG23 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 p 54.92 167.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.819 1.295 . . . . 0.0 109.999 172.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.555 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.6 t-20 168.81 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.857 1.313 . . . . 0.0 109.312 172.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.571 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.571 ' C ' ' O ' ' A' ' 19' ' ' HYP . 0.4 OUTLIER 24.35 49.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.23 172.143 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' HYP . 3.2 m-20 -85.87 92.79 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.05 20.22 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.71 -170.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.712 ' HB3' HD13 ' A' ' 28' ' ' LEU . 22.2 p 44.71 85.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB3' HD23 ' A' ' 26' ' ' LEU . 3.5 tpt180 -71.92 -20.42 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -127.14 -172.39 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.85 153.72 5.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.862 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -123.9 -162.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.48 -173.38 3.3 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 123.446 1.581 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -60.98 39.44 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 CA-C-O 113.822 -2.657 . . . . 0.0 117.593 -172.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.98 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.742 2.064 . . . . 0.0 109.357 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -143.44 -153.52 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 107.991 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.59 129.41 6.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' CYS . . . 86.14 -125.45 7.36 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -50.51 91.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 110.349 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 43.58 -163.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -57.76 146.66 65.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 123.397 1.57 . . . . 0.0 108.039 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 6' ' ' ASN . 57.9 Cg_endo -66.78 21.14 0.1 OUTLIER 'Trans proline' 0 CA--C 1.566 2.085 0 CA-C-O 113.813 -2.661 . . . . 0.0 117.632 -172.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 41.8 30.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 121.764 2.074 . . . . 0.0 107.949 179.632 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.452 ' N ' ' C ' ' A' ' 4' ' ' PRO . 1.5 m-20 -42.11 116.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' ASN . 5.0 ttt85 36.31 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.32 70.69 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.833 1.301 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 29.9 p -61.32 139.74 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.413 172.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.596 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -70.31 59.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 12.1 m-85 -144.95 171.38 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.837 1.303 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.552 ' C ' HD13 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.696 HG22 HD22 ' A' ' 15' ' ' HYP . 1.2 mm -87.04 134.88 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 122.814 1.292 . . . . 0.0 109.344 172.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.696 HD22 HG22 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' HYP . 0.4 OUTLIER 164.3 166.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.771 1.272 . . . . 0.0 110.035 172.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.558 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 1.0 OUTLIER 167.89 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.936 1.35 . . . . 0.0 109.254 172.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.558 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.93 22.86 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.287 172.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -114.44 124.09 51.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt 62.12 13.01 5.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.634 ' CZ2' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -64.96 -174.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.634 ' O ' ' CZ2' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -100.62 82.96 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 108.285 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' CD ' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -87.07 -29.37 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' CD ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -144.91 -170.75 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.68 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.6 tp -66.65 -164.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -158.75 -100.13 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 123.478 1.599 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.756 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.8 Cg_endo -56.89 61.85 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 CA-C-O 113.792 -2.67 . . . . 0.0 117.633 -172.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.69 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 121.686 2.039 . . . . 0.0 109.264 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CD1' ' SG ' ' A' ' 24' ' ' CYS . 1.7 t-105 -130.19 -148.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.36 130.87 3.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.77 123.82 0.28 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 42.74 74.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 0.736 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 39.24 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.441 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 8.1 p90 -134.12 57.44 24.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 123.411 1.577 . . . . 0.0 108.005 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.8 Cg_endo -63.82 27.89 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 CA-C-O 113.768 -2.68 . . . . 0.0 117.578 -172.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -106.7 -113.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 121.797 2.09 . . . . 0.0 107.979 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.2 m120 58.52 81.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.57 57.12 3.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.842 1.306 . . . . 0.0 109.372 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -65.85 173.13 3.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.342 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -95.79 59.85 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -43.04 168.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.873 1.32 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.463 ' HA ' HD23 ' A' ' 15' ' ' HYP . 9.0 tt -63.43 133.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 122.828 1.299 . . . . 0.0 109.295 172.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.463 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.501 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.2 OUTLIER -68.44 -52.94 27.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.871 1.32 . . . . 0.0 109.968 172.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.501 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -96.43 165.85 11.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 122.866 1.317 . . . . 0.0 109.34 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.537 ' HD2' ' CD1' ' A' ' 23' ' ' TRP . 0.9 OUTLIER 37.78 43.18 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.282 172.03 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.935 ' O ' HD13 ' A' ' 28' ' ' LEU . 5.5 mtpt 59.36 30.26 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -74.56 -176.04 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.995 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.854 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.2 m 166.98 130.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 108.361 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -47.53 -19.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 24' ' ' CYS . 4.9 mp -101.81 -168.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.86 119.83 33.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.935 HD13 ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -87.73 -165.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 93.54 -125.93 8.42 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 123.437 1.576 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.782 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.6 Cg_endo -50.67 61.49 0.02 OUTLIER 'Trans proline' 0 CA--C 1.567 2.174 0 CA-C-O 113.728 -2.697 . . . . 0.0 117.566 -172.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.782 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 151.59 -8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 121.744 2.066 . . . . 0.0 109.319 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CD1' HD11 ' A' ' 28' ' ' LEU . 11.9 t-105 -110.82 -155.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 34' ' ' GLY . . . 146.52 -122.11 1.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . 23.63 -100.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' CYS . 5.9 tmm_? 172.78 120.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.287 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.6 m0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 39.91 50.06 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 80.9 m95 65.33 148.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 123.526 1.631 . . . . 0.0 107.987 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.8 87.09 0.17 Allowed 'Trans proline' 0 CA--C 1.567 2.164 0 CA-C-O 113.767 -2.681 . . . . 0.0 117.571 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -103.96 -113.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 121.798 2.09 . . . . 0.0 107.996 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -89.92 47.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt85 -150.73 67.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -79.5 161.58 25.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.828 1.299 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.594 HG22 ' H ' ' A' ' 11' ' ' LYS . 15.2 m -86.39 178.45 7.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.358 172.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.594 ' H ' HG22 ' A' ' 10' ' ' THR . 1.6 ttmt -139.82 140.55 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -124.42 173.31 8.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.847 1.308 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.607 HG23 HD22 ' A' ' 15' ' ' HYP . 26.7 mt -130.54 134.53 62.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 122.921 1.343 . . . . 0.0 109.295 172.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.607 HD22 HG23 ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.505 ' N ' ' CD ' ' A' ' 17' ' ' HYP . 0.3 OUTLIER -70.14 -53.74 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.883 1.325 . . . . 0.0 110.066 172.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . 0.505 ' CD ' ' N ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' HYP . 0.6 OUTLIER 168.84 -51.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 122.891 1.329 . . . . 0.0 109.367 172.192 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.0 ttt-85 38.04 33.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.337 172.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' TRP . 1.6 t70 -58.63 -153.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.678 ' HA ' HD23 ' A' ' 26' ' ' LEU . 4.2 mttm -66.86 56.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.788 ' O ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -86.54 178.38 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 108.079 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' C ' ' H ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 83.36 -163.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 108.283 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -46.85 -11.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -56.36 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.99 61.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -103.96 -153.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . 177.39 -106.77 0.22 Allowed Glycine 0 CA--C 1.531 1.032 0 CA-C-O 123.513 1.618 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.734 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 57.7 Cg_endo -51.5 64.72 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 CA-C-O 113.693 -2.711 . . . . 0.0 117.582 -172.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 30' ' ' PRO . . . 155.23 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 121.751 2.068 . . . . 0.0 109.306 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.668 ' CZ3' ' CH2' ' A' ' 23' ' ' TRP . 6.4 t-105 -125.66 -147.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 107.981 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.84 5.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.7 -81.0 0.36 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' CA ' ' HG3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -134.3 163.19 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.278 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 25' ' ' ARG . 15.9 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -97.89 135.54 39.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.453 ' HA ' ' CZ3' ' A' ' 5' ' ' TRP . 4.9 p90 -149.77 55.0 1.72 Allowed Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 123.43 1.586 . . . . 0.0 108.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 3' ' ' TRP . 57.9 Cg_endo -61.52 72.42 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.134 0 CA-C-O 113.842 -2.649 . . . . 0.0 117.617 -172.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CZ3' ' HA ' ' A' ' 3' ' ' TRP . 29.7 p90 -176.17 39.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 121.693 2.042 . . . . 0.0 108.028 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -177.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.57 58.03 1.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.366 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -130.07 84.6 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.918 1.342 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 11' ' ' LYS . 13.7 m -113.62 179.0 4.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.466 172.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 10' ' ' THR . 7.4 tttt -138.44 73.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.469 ' CB ' ' CD ' ' A' ' 13' ' ' HYP . 1.2 m-85 46.0 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 122.826 1.298 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.469 ' CD ' ' CB ' ' A' ' 12' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 15' ' ' HYP . 20.8 tt -82.86 133.8 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 122.839 1.304 . . . . 0.0 109.306 172.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HYP . . . . . 0.459 HD23 ' HA ' ' A' ' 14' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 t -141.83 82.28 1.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.875 1.322 . . . . 0.0 110.003 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.84 171.72 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.899 1.333 . . . . 0.0 109.234 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.78 27.19 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 172.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' TRP . 55.3 m-20 -84.14 95.89 8.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.79 25.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.704 ' CG ' ' N ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -55.6 -170.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.976 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.704 ' N ' ' CG ' ' A' ' 23' ' ' TRP . 22.1 p 44.46 74.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -105.14 -20.43 13.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mp -103.98 -167.66 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.231 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -77.16 72.53 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' N ' ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -54.66 -171.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' ALA . . . -139.95 -145.38 4.67 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 123.452 1.584 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -49.45 4.22 0.02 OUTLIER 'Trans proline' 0 CA--C 1.566 2.104 0 CA-C-O 113.79 -2.671 . . . . 0.0 117.541 -172.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . -132.83 73.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 121.818 2.099 . . . . 0.0 109.345 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.677 ' CH2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.6 -156.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.571 1.169 . . . . 0.0 107.98 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.8 -129.71 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -109.59 -89.87 2.03 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.96 75.59 3.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.968 . . . . . . . . 1 1 . 1 stop_ save_