data_1wt7_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 1wt7 _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 ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 83.68 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.952 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.5 m 60.53 47.79 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.534 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -78.99 -13.97 59.48 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 123.77 1.93 Allowed Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.582 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.0 m -60.25 -44.26 95.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.273 0.537 . . . . 0.0 109.974 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.44 -26.6 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.36 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.14 -41.62 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -77.34 -15.05 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.063 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -52.38 -46.78 66.37 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.608 0.242 . . . . 0.0 111.458 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.21 -55.06 22.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.575 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -50.2 -46.42 28.7 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.592 2.195 . . . . 0.0 112.975 174.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.93 -41.37 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 38.9 ttm180 -59.29 -45.94 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.272 0.558 . . . . 0.0 110.167 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -73.54 -17.51 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.311 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.491 ' C ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -90.02 -55.64 3.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.828 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 73.0 p -102.35 -28.75 12.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 -16.69 29.9 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.5 m -117.58 123.12 30.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.65 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 45.6 Cg_endo -83.72 27.67 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.301 2.667 . . . . 0.0 113.738 -174.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -106.23 108.36 19.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.42 163.88 35.81 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.728 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -144.89 143.09 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 23.0 p -84.07 109.23 17.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 pt -144.26 155.66 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 t30 63.8 21.91 12.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.134 0.969 . . . . 0.0 109.641 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 66.39 28.92 9.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.921 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -151.41 150.53 30.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 98.3 m -81.89 94.29 7.07 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.904 -0.498 . . . . 0.0 110.315 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -83.24 134.18 34.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.203 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.3 m -90.31 148.11 23.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.796 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -82.72 20.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.71 0.29 . . . . 0.0 111.374 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.12 152.42 22.51 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.465 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 37.5 t . . . . . 0 C--O 1.248 0.975 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 mm? . . . . . 0 C--O 1.234 0.278 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -53.9 81.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.176 0.922 . . . . 0.0 112.746 -171.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.1 m 52.66 45.06 29.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.189 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -78.96 -13.03 60.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.851 0.834 . . . . 0.0 108.837 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.13 134.99 2.89 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.432 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -64.92 -39.3 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 0.0 110.373 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 48.1 mmtm -58.22 -38.83 77.59 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.338 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.75 -44.59 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.762 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.25 -32.6 71.3 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 19.9 m-85 -51.1 -48.22 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.49 -58.09 17.0 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -53.66 -44.68 47.02 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.337 2.025 . . . . 0.0 112.735 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.09 -46.36 90.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.689 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 47.2 ttt180 -61.9 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.12 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -65.43 -27.25 68.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.736 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -80.7 -65.89 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.419 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.5 p -86.0 -32.17 21.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.515 -172.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.07 -21.13 10.36 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.4 m -123.41 139.64 32.34 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.585 0.231 . . . . 0.0 110.436 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 61.4 Cg_endo -89.41 16.68 1.73 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.058 2.506 . . . . 0.0 114.646 -172.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -81.64 91.77 6.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.465 0.65 . . . . 0.0 111.172 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.85 151.33 47.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.659 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -149.24 145.66 27.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 16.2 p -92.01 108.14 19.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.354 0.597 . . . . 0.0 110.449 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.94 118.32 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.504 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 56.4 47.9 18.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.683 0.614 . . . . 0.0 109.405 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 33.5 mmtp 73.25 -15.07 0.56 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.278 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.9 m -86.72 104.75 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.109 -0.37 . . . . 0.0 110.878 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 49.5 t -64.27 108.12 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.53 129.9 53.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 110.574 -173.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -88.12 146.47 25.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.511 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -79.53 -16.01 56.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.25 0.548 . . . . 0.0 110.014 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.13 -140.69 11.95 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.895 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.361 179.084 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 11' ' ' THR . 1.9 mm? . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.454 0.169 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.17 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.772 0.67 . . . . 0.0 111.747 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.7 m 57.59 45.61 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.98 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.499 HG22 HD13 ' A' ' 8' ' ' LEU . 15.4 t -79.1 -15.07 58.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 109.132 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.62 134.9 2.66 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.178 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.2 m -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.9 0.35 . . . . 0.0 110.729 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.645 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.3 ptpt -65.38 -21.29 66.66 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.935 0.397 . . . . 0.0 110.565 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.05 -52.61 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -64.52 -17.01 63.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.471 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.645 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -53.38 -41.3 65.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -56.74 13.2 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.974 -176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.01 -37.86 95.57 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 121.941 1.76 . . . . 0.0 112.052 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.44 -41.66 98.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.448 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 ttm-85 -62.51 -40.87 98.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.936 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -61.74 -39.02 90.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.171 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.98 -55.75 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.093 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 p -99.47 -29.16 12.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -172.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.42 -19.67 31.27 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.227 -172.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.04 128.46 25.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.828 0.347 . . . . 0.0 110.097 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.29 22.49 0.81 Allowed 'Trans proline' 0 CA--C 1.527 0.134 0 C-N-CA 122.957 2.438 . . . . 0.0 113.699 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.64 93.41 9.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.21 0.529 . . . . 0.0 110.646 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.43 149.39 48.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.18 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.58 129.43 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 7.9 t -85.34 111.52 19.98 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.385 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 35' ' ' SER . 13.9 pt -81.33 -178.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 166.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -53.77 97.96 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.875 0.845 . . . . 0.0 112.194 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 68.74 28.28 5.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.541 -1.208 . . . . 0.0 112.329 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.5 m -154.92 112.57 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 111.783 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 90.5 m -78.61 93.4 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.217 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -89.0 141.92 28.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 -175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.8 m -93.05 146.41 23.66 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.88 -15.7 58.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.978 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.53 -178.29 18.42 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.202 -179.018 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.34 83.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.858 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.47 51.67 3.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.988 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -78.68 0.29 27.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.712 171.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.28 137.45 7.33 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.271 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -57.45 -42.97 83.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.923 0.362 . . . . 0.0 110.195 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.597 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -62.56 -22.89 66.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.64 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.26 -44.68 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.56 -16.77 63.48 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.383 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.597 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.9 m-30 -50.93 -46.31 60.85 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.97 -58.78 15.78 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.37 -43.13 54.79 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.099 1.866 . . . . 0.0 112.649 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.83 -46.87 83.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.337 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.732 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 78.5 ttt180 -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.6 -36.07 82.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.346 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.77 -53.02 5.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 p -93.26 -28.42 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -171.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -12.2 56.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.504 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.36 115.35 25.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.732 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 65.6 Cg_endo -74.69 -20.46 17.62 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.826 2.351 . . . . 0.0 114.32 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.73 103.96 0.19 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.0 112.39 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.19 160.23 42.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.598 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -144.36 143.39 30.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.641 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.8 p -87.43 107.11 18.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.773 0.797 . . . . 0.0 110.741 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.493 ' CD1' ' HD3' ' A' ' 37' ' ' LYS . 22.2 pt -118.04 143.67 28.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.343 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 54.75 36.68 26.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.773 -170.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 59.42 28.67 18.09 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.852 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -139.28 123.95 18.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.641 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 84.5 m -72.23 104.02 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.087 0.47 . . . . 0.0 111.059 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.493 ' HD3' ' CD1' ' A' ' 32' ' ' ILE . 45.8 mtpt -94.07 132.88 38.13 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.13 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -93.07 149.36 21.28 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.806 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -86.72 16.19 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 0.0 110.329 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 -112.5 4.36 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -172.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.685 . . . . 0.0 109.816 174.124 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.67 79.43 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.691 0.619 . . . . 0.0 111.158 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.4 t 48.55 48.21 19.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.739 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.4 ' HB ' HD12 ' A' ' 8' ' ' LEU . 4.3 m -89.5 32.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.123 0.964 . . . . 0.0 109.146 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.28 107.01 3.15 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.744 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.8 m -57.5 -30.59 65.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 60.6 mttm -56.33 -34.45 66.57 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.081 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -77.28 -49.18 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 15.9 t -68.12 -10.15 51.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.075 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 13.5 m-30 -52.27 -42.75 63.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.684 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.28 -56.12 21.61 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.911 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD2' ' C ' ' A' ' 16' ' ' CYS . 52.0 Cg_exo -54.67 -44.14 52.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.236 1.958 . . . . 0.0 112.65 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.8 -46.0 91.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.699 0.285 . . . . 0.0 110.386 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -60.44 -44.08 96.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.685 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.33 -29.65 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -82.79 -62.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -87.92 -29.75 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.939 0.399 . . . . 0.0 111.445 -173.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.17 -8.92 38.88 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.618 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.8 m -131.51 135.15 26.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.612 0.244 . . . . 0.0 110.48 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.92 26.59 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.585 2.856 . . . . 0.0 113.961 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 2.9 m-20 -83.19 93.07 7.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.13 145.27 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 111.823 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -148.86 135.12 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.179 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 11.8 p -83.51 123.6 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.36 0.6 . . . . 0.0 111.198 -175.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 pp -140.42 144.53 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 55.51 44.81 26.24 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.15 32.2 1.38 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.613 1.165 . . . . 0.0 112.387 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -139.76 132.86 29.6 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.7 p -79.92 104.51 10.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.423 0.63 . . . . 0.0 110.417 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -90.68 136.05 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.95 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 80.2 m -91.26 147.27 23.17 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -79.62 22.51 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.57 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -170.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.529 173.755 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -56.44 81.06 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.206 0.941 . . . . 0.0 112.598 -169.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 83.9 m 55.67 44.72 25.97 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.315 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -14.65 59.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.772 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.55 134.15 2.66 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.471 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.533 ' O ' ' HD1' ' A' ' 17' ' ' TYR . 30.4 m -60.04 -45.22 93.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 17' ' ' TYR . 21.5 pttp -54.81 -31.07 58.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.334 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.12 -47.34 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.092 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.06 -16.66 64.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.163 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.7 m-85 -53.33 -40.93 65.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.031 173.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.52 -58.17 12.58 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.865 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.85 -43.67 35.9 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.974 1.783 . . . . 0.0 112.481 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.17 -47.58 85.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.693 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 40.7 ttp-105 -68.84 -38.08 79.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.33 -28.73 68.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.394 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.766 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 57.1 p -83.04 -41.29 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 112.009 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.61 -19.51 11.4 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -169.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -106.91 127.26 28.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.561 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 70.5 Cg_endo -87.92 12.51 2.85 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.892 2.395 . . . . 0.0 112.841 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.5 95.35 3.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.43 148.66 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.111 0.481 . . . . 0.0 111.911 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -140.97 129.53 22.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.826 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 19.8 t -83.26 120.39 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.237 -176.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 pt -133.16 138.06 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.632 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.67 40.13 30.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 6.1 mptp? 63.06 23.47 13.99 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -140.01 119.34 12.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.169 0.509 . . . . 0.0 110.306 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 71.9 m -72.29 111.07 7.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.755 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -95.76 162.74 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.6 m -110.04 152.12 26.33 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.43 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -80.0 26.92 0.32 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.651 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 126.07 0.27 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.359 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.766 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 21.3 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.509 -0.757 . . . . 0.0 109.121 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 6.0 mp . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.587 0.232 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.69 83.34 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.099 0.875 . . . . 0.0 111.116 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LEU . 16.5 m 59.11 48.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.961 -174.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 20.5 p -78.57 -28.86 45.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.345 171.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.39 132.82 2.12 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.146 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -61.4 -40.28 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.98 0.39 . . . . 0.0 110.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mttp -63.72 -28.72 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.046 0.45 . . . . 0.0 110.698 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.9 -26.54 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.116 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.54 -20.05 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -49.34 -52.48 27.76 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.3 -57.35 27.67 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -57.3 -43.4 52.73 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.057 1.838 . . . . 0.0 112.487 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.87 -47.85 84.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.733 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 58.3 ttp180 -61.3 -42.55 98.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -62.52 -35.58 79.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.019 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -79.22 -56.35 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.941 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.7 p -97.99 -36.99 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.17 -16.6 56.9 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -171.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.92 96.17 48.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.733 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 84.5 Cg_endo -82.07 19.17 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 114.627 -169.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -79.54 98.68 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.339 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -129.68 154.93 46.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -176.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.64 134.75 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.057 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 5.1 t -83.57 113.06 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.521 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' ' HE2' ' A' ' 37' ' ' LYS . 18.8 pt -142.57 154.69 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.33 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 67.2 m-20 58.3 34.46 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.602 0.239 . . . . 0.0 110.384 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 5.2 mptp? 73.38 0.64 3.72 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -134.98 162.55 32.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 110.676 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 53.1 t -88.7 116.76 27.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HE2' ' CD1' ' A' ' 32' ' ' ILE . 32.7 ttpt -114.72 123.08 48.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 44.4 m -79.7 149.0 31.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.282 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.05 -24.34 47.8 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.66 178.5 52.21 Favored Glycine 0 N--CA 1.439 -1.151 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.447 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.453 177.299 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' CYS . 64.1 mt . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 119.873 -0.108 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.91 84.13 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.164 0.915 . . . . 0.0 112.287 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 35.5 m 57.99 53.06 7.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.483 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.438 HG22 ' HB3' ' A' ' 8' ' ' LEU . 9.4 t -81.48 17.3 1.42 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.861 0.838 . . . . 0.0 108.774 170.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 96.98 126.08 5.21 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -170.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -59.08 -35.92 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.86 0.83 . . . . 0.0 109.611 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 28.8 mmmt -58.75 -37.36 76.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.834 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.96 -19.96 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.096 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -88.29 -25.97 22.53 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.719 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 18.6 m-85 -56.94 -55.79 30.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -55.22 47.23 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.27 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.1 -36.84 87.66 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.235 1.957 . . . . 0.0 112.819 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.3 -44.14 95.66 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -65.14 -43.49 91.68 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.327 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -57.65 -40.75 80.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.12 -53.98 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.8 p -89.2 -36.46 15.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.758 -174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 -21.6 10.12 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 88.5 m -120.61 136.98 25.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -86.86 20.48 1.21 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.989 2.459 . . . . 0.0 113.222 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 19.3 m120 -79.84 80.62 6.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.404 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.29 137.96 54.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.599 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 32.8 mmmt -124.17 147.44 47.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.282 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.05 87.77 5.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.426 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 pt -118.91 144.18 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.173 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 40.88 38.4 0.65 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.731 0.812 . . . . 0.0 112.462 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.613 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 34.1 ttpt 58.93 48.45 10.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.939 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 t -150.7 123.67 8.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.457 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 2.0 m -86.2 100.68 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 153.71 29.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.227 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 72.8 m -107.67 154.39 21.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.893 -174.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.429 ' HE1' ' HG2' ' A' ' 30' ' ' LYS . 70.7 m-85 -84.5 4.39 32.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.86 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 176.04 49.21 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.965 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 21.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.277 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' CYS . 2.8 mm? . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.97 81.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.361 1.038 . . . . 0.0 112.517 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 84.1 m 54.75 36.68 26.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.656 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -83.71 -23.96 31.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.91 131.06 1.27 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.38 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 m -59.9 -38.32 81.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 110.284 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.3 pttm -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.485 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -83.39 -36.93 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.901 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 72.2 m -62.09 -29.64 70.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 22.1 m-30 -55.73 -33.67 64.46 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.716 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.48 -58.47 8.57 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.5 -36.92 92.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.856 1.704 . . . . 0.0 112.038 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -60.27 -46.99 87.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.453 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 5.6 tmm_? -62.37 -43.67 98.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.809 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -64.8 -21.43 66.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.219 0.533 . . . . 0.0 110.798 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -89.53 -66.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.3 t -103.31 -4.06 24.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' A' ' 21' ' ' ARG . . . 98.0 -38.86 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.137 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 41' ' ' CYS . 92.7 m -95.15 138.52 21.97 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 87.8 Cg_endo -82.27 -17.54 7.74 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.461 2.108 . . . . 0.0 113.823 -174.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.99 105.48 0.32 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -146.36 155.45 42.62 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB2' ' OH ' ' A' ' 39' ' ' TYR . 22.2 ttmm -130.2 137.96 50.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.485 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.7 t -83.95 114.7 21.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.64 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.96 143.05 40.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.141 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 54.81 38.72 30.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.247 0.546 . . . . 0.0 109.821 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 62.64 24.91 14.83 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.039 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.9 p -139.1 130.87 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.979 0.418 . . . . 0.0 110.941 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.5 m -77.16 96.25 4.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.849 0.357 . . . . 0.0 110.596 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -94.48 132.78 38.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.19 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 63.0 m -79.05 148.14 32.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.49 ' OH ' ' HB2' ' A' ' 30' ' ' LYS . 59.8 m-85 -78.38 -15.8 58.31 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.5 -178.28 17.05 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.289 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 26' ' ' CYS . 6.3 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.671 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' CYS . 6.7 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 81.41 0.01 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.843 0.714 . . . . 0.0 112.002 -174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 96.8 m 60.84 44.07 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.141 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -77.73 -27.85 50.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.01 123.41 0.7 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.237 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 m -57.86 -47.3 83.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 52.1 pttt -64.06 -24.28 67.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.108 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.14 -35.22 61.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.414 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 79.8 m -85.49 -18.08 34.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.896 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.1 m-30 -55.23 -44.06 75.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.542 0.21 . . . . 0.0 111.522 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.16 -53.6 46.29 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HD2' ' C ' ' A' ' 16' ' ' CYS . 77.3 Cg_exo -51.66 -43.34 51.43 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.305 2.003 . . . . 0.0 112.787 174.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.5 m -65.5 -39.3 91.72 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.731 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -58.62 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -63.17 -28.79 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.861 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.67 -63.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 p -108.48 -30.12 8.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.31 -47.06 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.9 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 57.4 m -94.93 144.31 27.6 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 122.612 -0.346 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -86.47 22.32 0.96 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.146 2.564 . . . . 0.0 113.017 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.94 108.25 16.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.8 158.22 44.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.985 0.421 . . . . 0.0 111.996 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -146.79 147.42 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 26.4 p -89.35 119.0 29.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.034 0.445 . . . . 0.0 110.895 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mp -100.63 95.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.1 p30 43.15 17.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.884 1.674 . . . . 0.0 115.292 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 169.85 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.02 0.528 . . . . 0.0 110.06 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -112.26 128.78 56.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.195 0.522 . . . . 0.0 111.983 -171.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 92.0 m -75.12 99.26 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.003 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -85.82 126.58 34.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.153 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.39 148.07 32.13 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.184 176.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -79.82 23.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.91 70.64 0.99 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.916 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.468 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 36.6 t . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.284 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' CYS . 20.5 tp . . . . . 0 C--O 1.237 0.399 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 82.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.469 -173.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.1 t 58.57 44.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.972 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 m -77.56 -21.38 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 109.356 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.9 127.19 0.91 Allowed Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.38 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -61.3 -48.26 82.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 21.6 pttp -62.97 -32.36 73.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 110.508 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.39 -32.25 73.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.691 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.61 -20.02 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.143 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.1 m-30 -57.34 -45.79 83.97 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.32 44.59 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 119.643 -0.217 . . . . 0.0 111.423 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -58.75 -36.09 97.63 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.162 1.908 . . . . 0.0 112.523 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.75 -47.52 80.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.952 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -68.53 -26.36 65.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.222 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -80.47 -63.28 1.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.424 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -91.1 -31.74 16.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -171.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.96 -19.96 24.7 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -171.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -118.99 135.93 24.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.74 24.04 0.78 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.102 2.534 . . . . 0.0 113.51 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -86.9 96.2 10.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.64 165.11 25.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.685 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -156.96 149.38 23.22 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 29.4 p -87.79 113.74 23.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.882 0.372 . . . . 0.0 110.193 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.62 111.75 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.0 m120 -19.04 80.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.506 1.754 . . . . 0.0 114.127 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 86.6 tttt 157.31 -52.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.483 1.115 . . . . 0.0 109.01 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 p -157.89 163.36 37.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.031 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 11.9 p -91.25 125.45 36.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -117.64 144.5 45.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.1 m -90.78 150.62 21.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.218 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.26 -8.92 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.404 0.621 . . . . 0.0 109.867 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.75 -174.85 23.86 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.266 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.481 178.617 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 mp . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.31 0.1 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 83.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.927 0.767 . . . . 0.0 112.759 -172.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.738 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 4.1 t 61.96 37.91 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.715 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -79.28 -21.52 45.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.619 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.86 135.79 2.58 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.374 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 m -64.86 -42.59 94.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.684 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 68.0 mttm -73.29 -28.87 62.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.123 0.487 . . . . 0.0 109.803 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.51 -32.25 72.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.338 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 77.0 m -80.48 -29.76 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.629 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.9 m-30 -55.72 -41.44 73.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.636 0.255 . . . . 0.0 111.532 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -58.54 16.88 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.89 -33.27 84.68 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.108 1.872 . . . . 0.0 112.253 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.53 -43.68 98.21 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.47 -39.13 93.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.174 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.89 -33.48 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.05 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -84.07 -58.9 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.323 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -91.46 -32.06 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -171.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 -20.99 37.55 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.415 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.2 m -100.63 138.49 20.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 110.348 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.32 18.16 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.895 2.397 . . . . 0.0 113.661 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -104.04 118.02 35.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.012 0.435 . . . . 0.0 110.804 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.79 174.38 12.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.39 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -148.88 142.72 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.738 ' HB2' ' HA ' ' A' ' 10' ' ' CYS . 22.2 p -99.34 131.29 45.46 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.159 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 pt -113.12 152.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 171.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.31 79.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.032 0.444 . . . . 0.0 110.658 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mttt 169.01 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 125.286 1.434 . . . . 0.0 108.979 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -163.2 166.5 23.24 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.81 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 57.5 m -87.91 118.74 27.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 172.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -105.96 161.84 14.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.758 0.314 . . . . 0.0 110.282 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.0 m -129.63 153.31 48.22 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -87.59 28.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.62 -63.9 4.14 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -165.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.538 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 10' ' ' CYS . 4.2 mm? . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB2' ' HZ3' ' A' ' 34' ' ' LYS . . . -55.68 79.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.244 0.965 . . . . 0.0 111.875 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 t 50.01 52.92 13.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.999 -172.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 m -78.19 -6.39 54.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.781 0.8 . . . . 0.0 109.393 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.58 130.12 2.35 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.5 -50.68 68.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -59.65 -30.47 68.76 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.62 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.95 -45.88 69.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.274 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.3 t -82.43 -19.74 38.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.036 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -53.24 -41.25 65.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.26 -57.05 11.47 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.83 -40.05 87.01 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.875 1.717 . . . . 0.0 112.412 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -62.15 -44.35 96.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.906 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.51 -39.89 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.81 -33.41 75.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.211 0.529 . . . . 0.0 110.123 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -73.91 -65.13 0.87 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -109.0 0.56 20.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -171.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.47 -34.69 4.08 Favored Glycine 0 C--O 1.23 -0.145 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.015 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 28' ' ' ASN . 40.6 t -83.21 124.38 76.26 Favored Pre-proline 0 C--N 1.321 -0.664 0 C-N-CA 122.379 0.271 . . . . 0.0 110.394 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -87.16 13.67 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.908 2.405 . . . . 0.0 112.176 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.455 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 16.6 m120 -103.01 103.3 13.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -177.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.49 159.76 40.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.788 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -140.59 155.23 46.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.43 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.99 100.51 10.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.496 -173.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -133.98 142.12 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 53.88 44.39 29.54 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 9.1 mtpm? 55.4 23.66 5.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.57 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -129.97 126.74 38.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.73 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.46 94.81 6.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 172.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -92.23 124.56 36.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -84.69 156.59 21.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.414 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 7.6 m-30 -78.64 -2.28 38.32 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.068 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.73 41.1 93.93 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.754 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.543 ' SG ' ' HB2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.51 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? . . . . . 0 C--O 1.233 0.184 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.2 82.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.928 0.768 . . . . 0.0 112.193 -173.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LEU . 65.8 m 50.41 49.96 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.794 -176.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -78.0 -33.34 51.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.456 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.8 129.69 1.29 Allowed Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.19 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.2 t -54.56 -41.59 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.509 . . . . 0.0 109.832 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 20.6 ptmt -61.76 -25.3 67.37 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.477 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.897 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -81.29 -30.06 34.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.412 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.9 m-30 -45.34 -62.4 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.03 76.26 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -54.43 -36.35 87.57 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.516 2.144 . . . . 0.0 113.176 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.2 m -69.7 -35.59 75.21 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.899 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.1 -42.46 98.56 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HA ' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.19 -45.57 92.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.017 177.371 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.98 -59.43 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.027 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.876 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 40.9 p -119.86 -15.15 8.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -166.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.16 -29.72 11.5 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.953 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 87.2 m -94.58 125.25 52.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.709 0.29 . . . . 0.0 110.246 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -88.95 17.99 1.54 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.159 2.573 . . . . 0.0 114.671 -171.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -95.93 140.63 30.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.883 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.72 142.83 12.56 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -125.94 148.96 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.9 t -100.99 130.87 47.05 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.191 -172.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.67 152.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -63.51 54.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? 174.26 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.49 0.716 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -159.57 138.14 10.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.621 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.3 t -79.62 122.72 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.76 125.36 51.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 -170.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.85 158.02 29.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.992 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.68 12.72 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -169.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.3 136.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.876 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 6.6 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.955 -0.545 . . . . 0.0 109.662 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' CYS . 70.1 mt . . . . . 0 CA--C 1.514 -0.406 0 CA-C-O 120.573 0.225 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.259 0.974 . . . . 0.0 111.743 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 45.5 m 55.73 47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.512 -175.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.64 -4.98 51.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.131 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.78 138.3 4.06 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -65.5 -47.62 75.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.466 0.633 . . . . 0.0 110.097 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.693 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 63.2 pttt -71.06 -23.11 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.394 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.37 -29.09 57.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 109.733 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.92 -22.27 22.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.093 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.693 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.2 m-30 -52.39 -57.1 10.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 -54.39 53.37 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -54.59 -44.45 49.44 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.362 2.041 . . . . 0.0 112.721 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.89 -41.63 98.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.29 -38.97 92.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.017 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -64.74 -37.57 88.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -74.49 -53.2 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.444 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -125.73 9.12 7.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 -17.52 10.99 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.976 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 47.6 t -84.75 122.43 74.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.587 0.232 . . . . 0.0 110.985 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.06 14.45 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.816 2.344 . . . . 0.0 112.371 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 9.3 m120 -113.11 99.51 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.266 0.555 . . . . 0.0 110.855 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.87 125.38 43.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.657 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -121.67 119.44 31.82 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.72 105.86 14.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.135 0.493 . . . . 0.0 110.157 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pp -121.49 143.83 32.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.728 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 59.24 27.9 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 55.9 mtmt 70.16 24.41 4.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.198 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 m -135.96 132.78 36.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.78 111.62 6.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -109.02 119.18 38.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.41 146.35 24.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.266 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 28' ' ' ASN . 45.1 m-85 -78.5 -7.94 58.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.455 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.78 -45.99 3.57 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.451 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 68.6 m . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.014 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' CYS . 79.4 mt . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.313 0.102 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.19 83.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.985 0.803 . . . . 0.0 112.162 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 36.4 m 59.38 52.23 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.016 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' A' ' 8' ' ' LEU . 37.0 p -80.87 -3.8 52.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.397 169.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.97 126.94 3.73 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -174.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.9 m -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.208 0.504 . . . . 0.0 110.07 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 49.1 pttt -64.21 -23.78 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.36 -48.31 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 73.0 m -59.44 -28.75 67.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.37 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.8 m-30 -51.47 -40.94 60.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -59.64 10.72 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -175.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 13.6 Cg_exo -69.84 -26.43 27.21 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.056 1.837 . . . . 0.0 111.33 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.73 -53.15 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -62.1 -49.05 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -55.28 -38.57 68.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.175 -176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -100.81 -48.95 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 p -84.31 -26.7 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.02 -173.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -23.33 34.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.196 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.55 133.54 21.82 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 120.635 0.255 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -90.91 25.13 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.29 2.66 . . . . 0.0 113.476 -175.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.79 109.11 19.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.106 0.479 . . . . 0.0 111.412 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.493 ' H ' ' HE1' ' A' ' 17' ' ' TYR . . . -139.47 167.21 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.349 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -160.53 140.61 11.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.2 t -93.11 103.0 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.502 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.22 129.52 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 61.36 34.81 18.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 109.986 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 84.1 mttt 68.23 6.1 5.08 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.647 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -101.84 103.06 13.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.9 t -83.35 95.6 8.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -107.38 159.67 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.205 -173.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.8 142.33 34.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.236 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -79.51 -7.09 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.958 0.408 . . . . 0.0 110.847 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.65 -178.48 52.44 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.998 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.35 -179.331 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.0 tp . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.607 0.717 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 86.26 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.156 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m 65.3 37.36 6.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.759 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -78.86 -31.45 45.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . 172.88 127.9 1.01 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 p -63.13 -41.47 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.16 0.48 . . . . 0.0 110.969 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.6 ptpt -62.46 -29.45 70.54 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 110.321 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 10.7 m-20 -68.96 -46.73 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.785 173.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.16 -33.3 69.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.526 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.2 m-30 -52.77 -40.58 63.29 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -58.54 9.85 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -63.35 -31.23 73.19 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.143 1.895 . . . . 0.0 111.921 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.63 -47.38 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.053 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.604 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 50.9 ttp180 -65.16 -39.22 92.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.633 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.58 -35.1 76.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.79 -61.87 1.72 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.9 t -107.01 1.11 24.13 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.71 -37.21 3.26 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.621 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.1 m -102.77 115.8 63.66 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.604 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 58.6 Cg_endo -80.68 28.13 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.452 2.768 . . . . 0.0 114.077 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -99.48 108.24 20.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.517 0.675 . . . . 0.0 110.518 177.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.46 156.12 45.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.591 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -132.0 128.66 38.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 14.3 p -81.74 142.72 32.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.509 0.671 . . . . 0.0 111.737 -171.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' LYS . 26.7 pt -124.24 158.57 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -65.29 74.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.256 0.551 . . . . 0.0 111.519 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' ILE . 39.8 ttmt 172.5 -47.5 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.56 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.6 m -160.6 168.88 24.04 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 36.0 m -88.25 105.11 17.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.35 109.49 15.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.184 0.516 . . . . 0.0 110.972 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.2 m -81.27 149.23 29.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.339 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -85.17 14.38 5.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.78 -61.09 4.07 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -172.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.182 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 1.1 pt? . . . . . 0 C--O 1.238 0.468 0 CA-C-O 121.307 0.575 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.11 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.0 m 67.83 46.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.686 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -86.43 11.57 12.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.966 0.888 . . . . 0.0 108.947 173.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.18 121.45 3.96 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.236 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -39.29 82.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.304 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -75.1 -11.4 60.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.36 -44.64 12.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.1 m -61.69 -22.06 65.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.653 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 27' ' ' PRO . 12.1 m-30 -47.61 -40.91 20.65 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 123.205 0.316 . . . . 0.0 111.381 173.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.84 6.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.916 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.83 -45.9 37.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.429 2.086 . . . . 0.0 112.907 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.8 m -64.0 -43.64 95.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.511 0.196 . . . . 0.0 110.942 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 25.0 ttt180 -61.87 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -65.78 -38.54 89.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.626 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -75.92 -53.95 7.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.999 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.651 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 45.2 p -110.59 -22.46 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.66 -35.72 4.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.811 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 64.1 m -97.72 123.62 51.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.505 ' O ' ' HA ' ' A' ' 17' ' ' TYR . 74.1 Cg_endo -75.03 -24.02 13.18 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.733 2.289 . . . . 0.0 113.627 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -56.28 123.04 13.25 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.041 0.448 . . . . 0.0 112.127 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.28 169.84 21.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.732 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -149.65 138.08 20.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.81 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 3.2 p -88.36 136.34 33.03 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.171 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -118.73 159.03 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -68.4 74.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.397 0.435 . . . . 0.0 111.257 -175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 168.73 -43.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.202 1.001 . . . . 0.0 109.113 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -162.75 160.51 25.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.1 t -91.53 110.51 21.83 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -103.85 133.79 48.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 111.105 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.2 m -79.9 162.88 24.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.706 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.34 143.02 13.87 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.049 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.651 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 34.9 t . . . . . 0 C--O 1.249 1.029 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.9 mp . . . . . 0 C--O 1.234 0.238 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 82.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.885 0.741 . . . . 0.0 111.58 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.8 m 57.77 47.31 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.887 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -80.21 -14.58 58.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.292 173.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.15 125.08 1.48 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.384 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 m -57.41 -40.29 77.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.26 0.53 . . . . 0.0 110.96 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' CD1' ' A' ' 17' ' ' TYR . 67.8 mttm -76.4 -15.59 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.742 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.96 -29.25 43.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 59.9 m -79.39 -21.33 45.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.021 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 14' ' ' LYS . 3.8 m-30 -45.01 -55.03 5.92 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.565 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.74 -56.66 30.43 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.297 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.248 1.966 . . . . 0.0 112.928 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.8 m -66.1 -37.34 85.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.287 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -68.57 -39.88 80.81 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.76 -45.5 82.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.045 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.66 -54.61 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.423 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -90.8 -39.87 12.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.37 -16.8 24.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.411 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.3 m -112.8 137.73 21.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.691 0.282 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -82.9 17.83 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.984 2.456 . . . . 0.0 113.387 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -79.6 100.63 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.776 0.322 . . . . 0.0 110.202 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.6 154.85 45.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.428 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -151.14 156.45 41.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 10' ' ' CYS . 16.2 p -96.27 147.98 23.22 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.159 -177.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -122.86 165.23 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -69.54 61.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -171.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 177.21 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.679 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -161.41 178.79 8.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.094 0.474 . . . . 0.0 111.331 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 58.3 m -91.97 136.55 33.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 175.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -111.43 143.46 42.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.3 m -104.38 144.42 31.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.4 ' HD1' ' N ' ' A' ' 39' ' ' TYR . 1.3 m-30 -79.21 -18.61 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.411 0.624 . . . . 0.0 109.872 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.92 -164.37 12.35 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.255 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.751 -179.698 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 HD13 ' HB ' ' A' ' 11' ' ' THR . 3.0 mm? . . . . . 0 C--O 1.235 0.317 0 CA-C-O 119.985 -0.055 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.37 82.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.05 0.844 . . . . 0.0 111.472 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.7 m 54.5 47.49 22.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.837 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.459 ' HB ' HD13 ' A' ' 8' ' ' LEU . 14.8 m -86.19 -13.52 46.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.265 173.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.01 124.03 1.84 Allowed Glycine 0 N--CA 1.44 -1.05 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.539 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -56.2 -46.26 79.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.1 ptpt -62.67 -26.33 68.59 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.202 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.67 -43.7 46.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.342 0.591 . . . . 0.0 109.703 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.6 t -81.68 -8.84 59.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.937 -175.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 7.6 m-30 -44.36 -53.67 6.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.578 0.227 . . . . 0.0 111.531 173.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -57.12 24.25 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -53.89 -45.99 36.95 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.318 2.012 . . . . 0.0 112.776 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.21 -46.88 88.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.358 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -64.75 -40.14 94.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.898 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -64.7 -39.23 93.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.628 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.87 -55.25 5.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -92.61 -40.43 10.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.927 0.394 . . . . 0.0 111.956 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.63 -17.64 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.443 -172.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.5 t -86.34 127.05 62.68 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.662 0.267 . . . . 0.0 110.916 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.76 10.64 3.61 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.848 2.365 . . . . 0.0 112.817 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -116.52 111.57 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.052 0.453 . . . . 0.0 110.72 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.18 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -133.93 129.62 36.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.38 120.47 26.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.234 0.54 . . . . 0.0 111.184 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.5 pt -132.16 140.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.266 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' A' ' 35' ' ' SER . 16.8 m120 49.26 49.66 19.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.43 0.456 . . . . 0.0 110.274 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 32.2 mtmm 70.99 -28.65 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.126 0.97 . . . . 0.0 112.265 -176.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 33' ' ' ASN . 33.0 t -81.67 124.63 29.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.862 0.363 . . . . 0.0 111.675 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.73 100.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 168.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.25 124.29 39.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 0.0 110.648 -175.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.9 m -89.28 144.75 25.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.155 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -79.25 1.13 25.87 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.51 92.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.934 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.21 -173.991 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.0 mp . . . . . 0 C--O 1.236 0.377 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.07 83.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.183 -174.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.8 m 57.04 49.58 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.633 -176.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -78.01 -10.07 59.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.671 171.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.18 131.94 3.71 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.9 176.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 p -62.6 -42.05 99.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.509 0.655 . . . . 0.0 109.6 178.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.8 ptmm? -52.14 -36.0 50.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.085 173.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.01 -40.58 24.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.623 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.528 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 98.8 m -62.3 -28.09 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.627 178.458 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.8 m-30 -57.54 -33.79 68.46 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.42 -61.45 5.94 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.528 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 3.8 Cg_exo -73.93 -26.43 13.2 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.059 1.84 . . . . 0.0 110.614 -177.093 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.42 -57.58 11.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.05 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 2.7 tmt_? -59.39 -42.92 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.96 -33.84 75.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.592 -178.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 -60.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.773 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -93.23 -5.07 50.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.964 -170.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.25 -43.25 2.14 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.435 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 33.6 m -103.9 133.29 20.34 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.071 0.462 . . . . 0.0 111.127 -178.106 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -84.96 35.99 0.55 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.762 2.974 . . . . 0.0 113.182 -178.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.14 101.34 10.75 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.115 0.483 . . . . 0.0 110.707 177.165 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.56 151.8 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.47 -179.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -145.07 137.86 26.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 p -94.43 119.44 33.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.607 0.717 . . . . 0.0 110.091 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.41 131.04 57.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.84 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.71 36.23 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.018 0.437 . . . . 0.0 110.049 -177.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 67.4 12.51 8.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.902 -178.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.6 t -110.31 110.69 21.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.0 t -82.66 95.55 7.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -99.75 126.23 45.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.194 -172.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.1 m -79.76 145.3 32.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.533 172.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.94 9.78 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.069 0.461 . . . . 0.0 110.425 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 81.93 -148.27 27.05 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.5 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.324 178.778 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' CYS . 5.3 mp . . . . . 0 C--O 1.235 0.29 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.38 85.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.742 0.651 . . . . 0.0 111.468 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' LEU . 20.9 m 54.78 47.03 23.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.97 -175.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -78.48 -8.24 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 170.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.55 119.38 1.95 Allowed Glycine 0 N--CA 1.434 -1.435 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.8 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -60.8 -34.54 74.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 66.7 mttm -56.26 -40.13 73.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.419 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.05 -48.98 55.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.683 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -67.93 -18.18 64.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.688 -174.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.2 m-85 -52.35 -46.47 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.598 0.237 . . . . 0.0 111.05 176.149 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 -58.15 15.57 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.226 -176.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.32 -38.91 71.82 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.75 . . . . 0.0 112.423 -178.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.0 t -65.63 -47.03 76.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -63.38 -41.96 98.81 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -65.66 -33.83 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.534 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.59 -61.52 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 t -95.74 -30.27 13.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 -171.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.89 -41.54 1.64 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.676 -177.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 61.0 m -105.82 139.45 20.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.755 -0.262 . . . . 0.0 110.686 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -83.47 26.47 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.252 2.634 . . . . 0.0 113.042 -177.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -76.45 78.52 3.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.16 130.86 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -125.24 129.18 49.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -79.45 120.88 24.48 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.68 0.752 . . . . 0.0 110.341 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 35' ' ' SER . 24.9 pt -103.44 163.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 170.182 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -45.23 -35.88 3.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -170.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -100.12 -25.87 14.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 32' ' ' ILE . 25.1 m -159.07 165.09 34.69 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.72 -0.612 . . . . 0.0 111.955 -168.273 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.7 m -91.16 105.43 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 169.192 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -92.04 117.09 29.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.156 -173.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.5 m -85.43 143.46 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.707 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.53 1.02 23.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.707 0.289 . . . . 0.0 111.67 -174.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.28 105.14 0.19 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.191 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 38.8 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.863 -177.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 CA--C 1.508 -0.665 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' ' 34' ' ' LYS . . . -61.73 77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.558 -175.229 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.2 m 61.02 50.62 4.94 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.797 -171.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -78.85 -16.09 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.149 172.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.16 139.32 4.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.0 -179.033 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 p -62.55 -49.93 73.34 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.602 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 29.5 mmtp -61.43 -40.5 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.805 178.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.2 -33.33 75.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.025 -178.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.86 -20.69 23.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.891 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 11.3 m-85 -50.06 -50.29 48.44 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -57.75 21.78 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.155 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.49 -40.31 58.18 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.171 1.914 . . . . 0.0 112.673 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.02 -44.79 94.37 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.604 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 60.2 ttt180 -66.9 -38.83 87.01 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.467 177.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.648 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -86.65 -58.15 2.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.57 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -95.22 -30.99 13.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -173.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.93 -8.96 50.8 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -171.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.1 t -91.16 116.54 66.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.724 0.297 . . . . 0.0 110.213 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.604 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 87.6 Cg_endo -85.39 12.74 2.97 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.781 2.321 . . . . 0.0 113.282 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -120.68 118.56 30.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 0.0 110.493 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.32 156.27 43.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.571 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 61.9 tttm -150.59 139.39 20.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.273 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -88.11 132.77 34.19 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.982 -176.751 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 pt -137.86 139.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.537 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 47.26 40.83 11.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.656 0.382 . . . . 0.0 111.803 -178.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 28.3 mtpp 54.89 47.27 22.63 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.019 -174.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -151.78 125.6 9.07 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 170.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 49.4 t -76.39 113.03 13.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.461 -178.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 30' ' ' LYS . 13.1 ptmm? -89.59 135.68 33.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m -104.12 145.76 29.72 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -78.09 0.37 24.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.74 -172.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.65 39.86 93.98 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.796 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 80.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.236 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.509 -0.613 0 CA-C-O 121.496 0.665 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 82.92 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.279 -172.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m 60.86 51.35 4.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.289 -175.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -79.79 21.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.281 0.562 . . . . 0.0 110.782 174.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.64 130.67 7.11 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -173.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -59.35 -45.73 90.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.023 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.6 pttp -63.92 -14.86 56.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -86.7 -57.07 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.853 0.358 . . . . 0.0 110.044 175.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.5 t -69.09 -15.9 63.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.238 -170.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.6 m-85 -50.75 -43.66 58.25 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.543 173.146 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . -67.02 -58.62 8.94 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.776 -176.005 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 49.5 Cg_exo -57.47 -37.77 96.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 122.03 1.82 . . . . 0.0 112.669 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.3 t -62.79 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.44 -37.74 87.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 175.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 18' ' ' ALA . 8.6 mtpm? -62.73 -38.59 91.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.28 178.031 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 19' ' ' PRO . 23.9 mt-30 -82.34 -52.58 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.805 -177.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.83 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 80.7 p -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 -14.88 50.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.591 -173.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.92 129.21 25.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -82.64 19.89 1.22 Allowed 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.995 2.463 . . . . 0.0 113.09 -176.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -89.77 91.6 8.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.958 0.408 . . . . 0.0 111.005 -178.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.35 166.26 18.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -159.53 161.04 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.624 177.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.94 118.36 33.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.823 179.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 pt -140.9 140.98 32.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.178 172.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 52.3 42.6 31.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.254 177.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mttp 54.38 36.93 26.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.996 -177.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -148.42 148.73 30.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.9 t -90.71 128.22 36.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.803 0.335 . . . . 0.0 110.127 178.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -119.65 153.6 35.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.217 178.099 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.05 150.51 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -78.94 2.63 19.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 111.671 -175.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.48 130.65 6.76 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.247 177.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.83 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 22.7 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -179.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.3 pp . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.65 83.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.627 -175.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 8' ' ' LEU . 1.3 m 53.22 58.35 5.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.713 -172.542 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.402 HG21 ' HB3' ' A' ' 15' ' ' ASP . 8.8 t -78.04 6.26 8.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.31 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.61 137.03 8.99 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 p -55.68 -46.22 77.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.191 0.495 . . . . 0.0 111.202 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.1 ptpp? -64.74 -21.18 66.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -178.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 11' ' ' THR . 13.7 t70 -88.71 -40.36 13.31 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 84.4 m -60.14 -26.82 66.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 20.6 m-30 -53.67 -37.01 62.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.57 176.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -57.95 8.77 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.9 -177.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -54.35 -44.34 50.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.236 1.958 . . . . 0.0 112.3 175.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -59.24 -44.51 92.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 63.1 ttt180 -65.0 -42.92 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.451 178.709 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.49 -22.22 64.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -97.45 -52.71 3.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -91.18 -31.52 16.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.849 0.357 . . . . 0.0 111.71 -174.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 -9.79 57.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.426 -171.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.0 m -114.9 130.24 24.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 27.6 Cg_endo -89.41 28.14 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.375 2.716 . . . . 0.0 114.227 -172.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 39' ' ' TYR . 19.5 p-10 -112.89 108.95 18.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.565 0.698 . . . . 0.0 112.024 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -143.64 162.24 36.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.296 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -140.97 130.17 23.51 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -82.79 115.31 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.987 -178.697 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 pt -132.83 141.26 45.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.713 176.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 54.77 34.71 22.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.477 0.485 . . . . 0.0 110.012 -174.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 56.8 mtpt 64.78 14.87 9.46 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.044 -178.53 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 14.4 m -116.34 131.31 56.98 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 67.7 m -75.12 84.11 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 109.954 177.29 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 122.77 29.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.959 -175.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 78.1 m -78.87 153.01 30.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 -177.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 96.9 m-85 -79.41 -2.5 42.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.434 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 141.45 10.91 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.841 178.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.31 -179.196 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 23' ' ' GLN . 5.6 m-90 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.589 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 26.6 p -90.26 128.31 36.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.865 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 p -84.08 -29.8 26.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.195 0.522 . . . . 0.0 110.499 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -85.79 52.11 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.35 0.595 . . . . 0.0 110.4 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.788 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 81.5 m -137.28 99.03 3.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.668 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.6 tp -109.49 -71.25 0.77 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.34 97.91 2.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.707 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 5' ' ' CYS . 5.9 mp -101.68 43.95 1.04 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.541 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 83.68 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.952 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.5 m 60.53 47.79 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.534 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -78.99 -13.97 59.48 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 123.77 1.93 Allowed Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.582 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.0 m -60.25 -44.26 95.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.273 0.537 . . . . 0.0 109.974 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.44 -26.6 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.36 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.14 -41.62 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -77.34 -15.05 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.063 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -52.38 -46.78 66.37 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.608 0.242 . . . . 0.0 111.458 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.21 -55.06 22.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.575 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.788 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 79.9 Cg_exo -50.2 -46.42 28.7 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.592 2.195 . . . . 0.0 112.975 174.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.93 -41.37 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.65 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 38.9 ttm180 -59.29 -45.94 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.272 0.558 . . . . 0.0 110.167 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 2' ' ' CYS . 48.4 tttp -73.54 -17.51 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.311 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' C ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -90.02 -55.64 3.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.828 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 73.0 p -102.35 -28.75 12.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 -16.69 29.9 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.5 m -117.58 123.12 30.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.65 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 45.6 Cg_endo -83.72 27.67 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.301 2.667 . . . . 0.0 113.738 -174.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -106.23 108.36 19.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.42 163.88 35.81 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.728 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -144.89 143.09 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 23.0 p -84.07 109.23 17.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 pt -144.26 155.66 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 t30 63.8 21.91 12.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.134 0.969 . . . . 0.0 109.641 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 66.39 28.92 9.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.921 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -151.41 150.53 30.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 98.3 m -81.89 94.29 7.07 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.904 -0.498 . . . . 0.0 110.315 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -83.24 134.18 34.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.203 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.3 m -90.31 148.11 23.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.796 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -82.72 20.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.71 0.29 . . . . 0.0 111.374 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.12 152.42 22.51 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.465 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 37.5 t . . . . . 0 C--O 1.248 0.975 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.804 ' HA ' ' HA ' ' A' ' 23' ' ' GLN . 10.9 m95 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 23' ' ' GLN . 18.1 p -91.32 101.39 14.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.244 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -67.67 -25.35 65.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.721 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -82.89 6.82 17.2 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.506 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.82 72.14 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.17 0.51 . . . . 0.0 111.232 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.64 -65.84 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.803 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -150.01 122.6 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.627 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 mm? -128.05 25.68 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -53.9 81.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.176 0.922 . . . . 0.0 112.746 -171.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.1 m 52.66 45.06 29.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.189 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -78.96 -13.03 60.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.851 0.834 . . . . 0.0 108.837 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.13 134.99 2.89 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.432 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -64.92 -39.3 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 0.0 110.373 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 48.1 mmtm -58.22 -38.83 77.59 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.338 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.75 -44.59 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.762 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.25 -32.6 71.3 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 19.9 m-85 -51.1 -48.22 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.49 -58.09 17.0 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -53.66 -44.68 47.02 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.337 2.025 . . . . 0.0 112.735 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.09 -46.36 90.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.689 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 47.2 ttt180 -61.9 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.12 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -65.43 -27.25 68.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.736 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.804 ' HA ' ' HA ' ' A' ' 1' ' ' TRP . 8.8 tt0 -80.7 -65.89 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.419 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.5 p -86.0 -32.17 21.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.515 -172.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.07 -21.13 10.36 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.4 m -123.41 139.64 32.34 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.585 0.231 . . . . 0.0 110.436 -177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 61.4 Cg_endo -89.41 16.68 1.73 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.058 2.506 . . . . 0.0 114.646 -172.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -81.64 91.77 6.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.465 0.65 . . . . 0.0 111.172 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.85 151.33 47.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.659 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -149.24 145.66 27.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 16.2 p -92.01 108.14 19.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.354 0.597 . . . . 0.0 110.449 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.94 118.32 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.504 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 56.4 47.9 18.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.683 0.614 . . . . 0.0 109.405 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 33.5 mmtp 73.25 -15.07 0.56 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.278 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.9 m -86.72 104.75 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.109 -0.37 . . . . 0.0 110.878 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 49.5 t -64.27 108.12 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.53 129.9 53.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 110.574 -173.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -88.12 146.47 25.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.511 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -79.53 -16.01 56.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.25 0.548 . . . . 0.0 110.014 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.13 -140.69 11.95 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.895 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.361 179.084 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.857 0.361 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.0 p -90.03 125.5 35.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.177 0.513 . . . . 0.0 110.947 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -74.6 -11.89 60.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 p -108.61 -95.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.9 m 47.65 65.77 1.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.362 0.601 . . . . 0.0 111.731 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -110.89 -171.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.245 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -82.47 66.43 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.565 0.697 . . . . 0.0 111.134 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 11' ' ' THR . 1.9 mm? -89.76 31.3 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.17 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.772 0.67 . . . . 0.0 111.747 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.7 m 57.59 45.61 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.98 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.499 HG22 HD13 ' A' ' 8' ' ' LEU . 15.4 t -79.1 -15.07 58.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 109.132 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.62 134.9 2.66 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.178 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.2 m -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.9 0.35 . . . . 0.0 110.729 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.645 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.3 ptpt -65.38 -21.29 66.66 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.935 0.397 . . . . 0.0 110.565 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.05 -52.61 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -64.52 -17.01 63.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.471 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.645 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -53.38 -41.3 65.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -56.74 13.2 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.974 -176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.01 -37.86 95.57 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 121.941 1.76 . . . . 0.0 112.052 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.0 t -63.44 -41.66 98.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.448 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 ttm-85 -62.51 -40.87 98.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.936 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -61.74 -39.02 90.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.171 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.98 -55.75 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.093 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 p -99.47 -29.16 12.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -172.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.42 -19.67 31.27 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.227 -172.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.04 128.46 25.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.828 0.347 . . . . 0.0 110.097 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.29 22.49 0.81 Allowed 'Trans proline' 0 CA--C 1.527 0.134 0 C-N-CA 122.957 2.438 . . . . 0.0 113.699 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.64 93.41 9.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.21 0.529 . . . . 0.0 110.646 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.43 149.39 48.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.18 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.58 129.43 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 7.9 t -85.34 111.52 19.98 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.385 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 35' ' ' SER . 13.9 pt -81.33 -178.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 166.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -53.77 97.96 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.875 0.845 . . . . 0.0 112.194 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 68.74 28.28 5.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.541 -1.208 . . . . 0.0 112.329 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.437 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.5 m -154.92 112.57 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 111.783 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 90.5 m -78.61 93.4 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.217 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -89.0 141.92 28.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 -175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.8 m -93.05 146.41 23.66 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.88 -15.7 58.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.978 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.53 -178.29 18.42 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.202 -179.018 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 121.463 0.649 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.0 t -90.41 87.33 6.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -27.22 69.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 p -79.18 -14.45 59.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 111.409 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m -82.02 3.73 25.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.6 tp -79.65 -28.68 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.739 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -108.65 24.58 12.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.067 0.461 . . . . 0.0 110.63 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.32 35.82 4.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.595 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.34 83.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.858 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.47 51.67 3.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.988 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -78.68 0.29 27.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.712 171.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.28 137.45 7.33 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.271 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -57.45 -42.97 83.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.923 0.362 . . . . 0.0 110.195 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.597 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -62.56 -22.89 66.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.64 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.26 -44.68 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.56 -16.77 63.48 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.383 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.597 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.9 m-30 -50.93 -46.31 60.85 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.97 -58.78 15.78 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.37 -43.13 54.79 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.099 1.866 . . . . 0.0 112.649 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.83 -46.87 83.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.337 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.732 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 78.5 ttt180 -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.6 -36.07 82.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.346 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.77 -53.02 5.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 p -93.26 -28.42 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -171.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -12.2 56.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.504 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.36 115.35 25.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.732 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 65.6 Cg_endo -74.69 -20.46 17.62 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.826 2.351 . . . . 0.0 114.32 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.73 103.96 0.19 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.0 112.39 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.19 160.23 42.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.598 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -144.36 143.39 30.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.641 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.8 p -87.43 107.11 18.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.773 0.797 . . . . 0.0 110.741 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.493 ' CD1' ' HD3' ' A' ' 37' ' ' LYS . 22.2 pt -118.04 143.67 28.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.343 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 54.75 36.68 26.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.773 -170.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 59.42 28.67 18.09 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.852 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -139.28 123.95 18.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.641 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 84.5 m -72.23 104.02 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.087 0.47 . . . . 0.0 111.059 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.493 ' HD3' ' CD1' ' A' ' 32' ' ' ILE . 45.8 mtpt -94.07 132.88 38.13 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.13 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -93.07 149.36 21.28 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.806 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -86.72 16.19 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 0.0 110.329 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 -112.5 4.36 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -172.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.685 . . . . 0.0 109.816 174.124 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 97.4 m95 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.068 0.461 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 38.6 t -82.43 130.0 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -80.22 -64.19 1.24 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.713 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 m -150.66 37.46 0.66 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.735 0.779 . . . . 0.0 109.688 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . 25.4 p -83.61 -2.85 56.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.367 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.55 -39.87 30.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -100.62 27.0 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -115.5 33.13 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.749 -172.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.67 79.43 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.691 0.619 . . . . 0.0 111.158 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.4 t 48.55 48.21 19.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.739 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.4 ' HB ' HD12 ' A' ' 8' ' ' LEU . 4.3 m -89.5 32.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.123 0.964 . . . . 0.0 109.146 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.28 107.01 3.15 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.744 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.8 m -57.5 -30.59 65.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 60.6 mttm -56.33 -34.45 66.57 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.081 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -77.28 -49.18 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 15.9 t -68.12 -10.15 51.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.075 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 13.5 m-30 -52.27 -42.75 63.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.684 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.28 -56.12 21.61 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.911 -177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD2' ' C ' ' A' ' 16' ' ' CYS . 52.0 Cg_exo -54.67 -44.14 52.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.236 1.958 . . . . 0.0 112.65 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.8 -46.0 91.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.699 0.285 . . . . 0.0 110.386 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -60.44 -44.08 96.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.685 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.33 -29.65 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -82.79 -62.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -87.92 -29.75 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.939 0.399 . . . . 0.0 111.445 -173.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.17 -8.92 38.88 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.618 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.8 m -131.51 135.15 26.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.612 0.244 . . . . 0.0 110.48 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.92 26.59 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.585 2.856 . . . . 0.0 113.961 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 2.9 m-20 -83.19 93.07 7.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.13 145.27 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 111.823 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -148.86 135.12 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.179 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 11.8 p -83.51 123.6 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.36 0.6 . . . . 0.0 111.198 -175.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 pp -140.42 144.53 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 55.51 44.81 26.24 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.15 32.2 1.38 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.613 1.165 . . . . 0.0 112.387 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -139.76 132.86 29.6 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.7 p -79.92 104.51 10.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.423 0.63 . . . . 0.0 110.417 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -90.68 136.05 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.95 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 80.2 m -91.26 147.27 23.17 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -79.62 22.51 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.57 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -170.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.529 173.755 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.6 m95 . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 p -89.5 113.97 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.732 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -74.82 -16.35 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.685 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.6 p -84.01 -4.38 58.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.635 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.3 m -91.42 76.99 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.331 . . . . 0.0 110.957 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -123.57 -42.46 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.462 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -145.97 82.99 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? -128.73 29.94 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.81 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -56.44 81.06 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.206 0.941 . . . . 0.0 112.598 -169.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 83.9 m 55.67 44.72 25.97 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.315 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -14.65 59.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.772 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.55 134.15 2.66 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.471 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.533 ' O ' ' HD1' ' A' ' 17' ' ' TYR . 30.4 m -60.04 -45.22 93.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 17' ' ' TYR . 21.5 pttp -54.81 -31.07 58.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.334 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.12 -47.34 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.092 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.06 -16.66 64.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.163 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.7 m-85 -53.33 -40.93 65.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.031 173.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.52 -58.17 12.58 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.865 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.85 -43.67 35.9 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.974 1.783 . . . . 0.0 112.481 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.17 -47.58 85.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.693 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 40.7 ttp-105 -68.84 -38.08 79.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.33 -28.73 68.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.394 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.766 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 57.1 p -83.04 -41.29 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 112.009 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.61 -19.51 11.4 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -169.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -106.91 127.26 28.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.561 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 70.5 Cg_endo -87.92 12.51 2.85 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.892 2.395 . . . . 0.0 112.841 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.5 95.35 3.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.43 148.66 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.111 0.481 . . . . 0.0 111.911 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -140.97 129.53 22.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.826 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 19.8 t -83.26 120.39 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.237 -176.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 pt -133.16 138.06 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.632 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.67 40.13 30.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 6.1 mptp? 63.06 23.47 13.99 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -140.01 119.34 12.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.169 0.509 . . . . 0.0 110.306 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 71.9 m -72.29 111.07 7.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.755 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -95.76 162.74 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.6 m -110.04 152.12 26.33 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.43 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -80.0 26.92 0.32 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.651 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 126.07 0.27 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.359 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.766 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 21.3 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.509 -0.757 . . . . 0.0 109.121 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.41 ' CD1' ' HG3' ' A' ' 23' ' ' GLN . 15.8 t-105 . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.701 0.286 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.3 p -84.94 114.72 22.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.991 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -77.63 44.76 0.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.556 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 m -148.04 -21.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.241 0.543 . . . . 0.0 110.133 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' HD12 ' A' ' 8' ' ' LEU . 13.5 m -82.12 71.43 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.223 -174.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -99.19 -55.09 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.95 92.54 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.636 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 6.0 mp -128.33 27.81 5.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.69 83.34 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.099 0.875 . . . . 0.0 111.116 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LEU . 16.5 m 59.11 48.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.961 -174.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 20.5 p -78.57 -28.86 45.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.345 171.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.39 132.82 2.12 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.146 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -61.4 -40.28 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.98 0.39 . . . . 0.0 110.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mttp -63.72 -28.72 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.046 0.45 . . . . 0.0 110.698 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.9 -26.54 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.116 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.54 -20.05 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -49.34 -52.48 27.76 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.3 -57.35 27.67 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -57.3 -43.4 52.73 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.057 1.838 . . . . 0.0 112.487 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.87 -47.85 84.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.733 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 58.3 ttp180 -61.3 -42.55 98.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -62.52 -35.58 79.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.019 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HG3' ' CD1' ' A' ' 1' ' ' TRP . 55.8 tt0 -79.22 -56.35 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.941 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.7 p -97.99 -36.99 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.17 -16.6 56.9 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -171.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.92 96.17 48.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.733 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 84.5 Cg_endo -82.07 19.17 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 114.627 -169.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -79.54 98.68 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.339 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -129.68 154.93 46.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -176.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.64 134.75 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.057 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 5.1 t -83.57 113.06 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.521 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' ' HE2' ' A' ' 37' ' ' LYS . 18.8 pt -142.57 154.69 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.33 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 67.2 m-20 58.3 34.46 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.602 0.239 . . . . 0.0 110.384 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 5.2 mptp? 73.38 0.64 3.72 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -134.98 162.55 32.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 110.676 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 53.1 t -88.7 116.76 27.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HE2' ' CD1' ' A' ' 32' ' ' ILE . 32.7 ttpt -114.72 123.08 48.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 44.4 m -79.7 149.0 31.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.282 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.05 -24.34 47.8 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.66 178.5 52.21 Favored Glycine 0 N--CA 1.439 -1.151 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.447 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.453 177.299 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 t -90.03 125.7 35.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -64.31 -35.46 80.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -86.89 -24.97 24.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.603 0.716 . . . . 0.0 110.271 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 3.2 m -96.68 65.48 2.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.745 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.73 -64.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.38 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -129.87 115.3 17.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' CYS . 64.1 mt -116.13 28.23 8.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 -173.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.91 84.13 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.164 0.915 . . . . 0.0 112.287 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 35.5 m 57.99 53.06 7.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.483 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.438 HG22 ' HB3' ' A' ' 8' ' ' LEU . 9.4 t -81.48 17.3 1.42 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.861 0.838 . . . . 0.0 108.774 170.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 96.98 126.08 5.21 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -170.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -59.08 -35.92 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.86 0.83 . . . . 0.0 109.611 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 28.8 mmmt -58.75 -37.36 76.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.834 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -81.96 -19.96 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.096 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -88.29 -25.97 22.53 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.719 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 18.6 m-85 -56.94 -55.79 30.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -55.22 47.23 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.27 -175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.1 -36.84 87.66 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.235 1.957 . . . . 0.0 112.819 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.3 -44.14 95.66 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -65.14 -43.49 91.68 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.327 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -57.65 -40.75 80.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.12 -53.98 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.8 p -89.2 -36.46 15.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.758 -174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 -21.6 10.12 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 88.5 m -120.61 136.98 25.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -86.86 20.48 1.21 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.989 2.459 . . . . 0.0 113.222 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 19.3 m120 -79.84 80.62 6.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.404 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.29 137.96 54.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.599 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 32.8 mmmt -124.17 147.44 47.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.282 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.05 87.77 5.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.426 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 pt -118.91 144.18 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.173 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 40.88 38.4 0.65 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.731 0.812 . . . . 0.0 112.462 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.613 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 34.1 ttpt 58.93 48.45 10.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.939 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 t -150.7 123.67 8.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.457 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 2.0 m -86.2 100.68 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.74 153.71 29.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.227 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 72.8 m -107.67 154.39 21.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.893 -174.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.429 ' HE1' ' HG2' ' A' ' 30' ' ' LYS . 70.7 m-85 -84.5 4.39 32.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.86 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 176.04 49.21 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.965 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 21.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.277 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.6 m95 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.937 0.399 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.1 t -90.62 112.44 24.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -82.85 -55.84 4.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.294 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.4 m -149.98 39.76 0.78 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.855 0.836 . . . . 0.0 110.222 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.6 63.22 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.036 176.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.2 55.72 3.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.233 -172.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -84.16 -12.21 55.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.705 0.764 . . . . 0.0 109.855 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' CYS . 2.8 mm? -98.4 25.29 6.43 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.97 81.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.361 1.038 . . . . 0.0 112.517 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 84.1 m 54.75 36.68 26.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.656 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -83.71 -23.96 31.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.91 131.06 1.27 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.38 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 m -59.9 -38.32 81.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 110.284 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.3 pttm -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.485 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -83.39 -36.93 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.901 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 72.2 m -62.09 -29.64 70.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 22.1 m-30 -55.73 -33.67 64.46 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.716 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.48 -58.47 8.57 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -59.5 -36.92 92.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.856 1.704 . . . . 0.0 112.038 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -60.27 -46.99 87.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.453 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 5.6 tmm_? -62.37 -43.67 98.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.809 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -64.8 -21.43 66.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.219 0.533 . . . . 0.0 110.798 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -89.53 -66.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.3 t -103.31 -4.06 24.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' A' ' 21' ' ' ARG . . . 98.0 -38.86 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.137 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 41' ' ' CYS . 92.7 m -95.15 138.52 21.97 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 87.8 Cg_endo -82.27 -17.54 7.74 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.461 2.108 . . . . 0.0 113.823 -174.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.99 105.48 0.32 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -146.36 155.45 42.62 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HB2' ' OH ' ' A' ' 39' ' ' TYR . 22.2 ttmm -130.2 137.96 50.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.485 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.7 t -83.95 114.7 21.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.64 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.96 143.05 40.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.141 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 54.81 38.72 30.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.247 0.546 . . . . 0.0 109.821 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 62.64 24.91 14.83 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.039 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.9 p -139.1 130.87 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.979 0.418 . . . . 0.0 110.941 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.5 m -77.16 96.25 4.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.849 0.357 . . . . 0.0 110.596 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -94.48 132.78 38.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.19 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 63.0 m -79.05 148.14 32.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.49 ' OH ' ' HB2' ' A' ' 30' ' ' LYS . 59.8 m-85 -78.38 -15.8 58.31 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.5 -178.28 17.05 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.289 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 26' ' ' CYS . 6.3 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.671 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.679 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 23.8 m-90 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.797 0.332 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.0 t -87.85 85.4 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -73.36 -70.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 p -109.47 31.74 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 0.0 111.68 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 p -115.78 7.35 14.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.318 0.58 . . . . 0.0 110.205 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -83.81 69.18 10.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.096 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.25 10.83 32.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.675 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' CYS . 6.7 mp -84.6 56.1 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.841 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 81.41 0.01 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.843 0.714 . . . . 0.0 112.002 -174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 96.8 m 60.84 44.07 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.141 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -77.73 -27.85 50.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.01 123.41 0.7 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.237 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 m -57.86 -47.3 83.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 52.1 pttt -64.06 -24.28 67.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.108 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.14 -35.22 61.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.414 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 79.8 m -85.49 -18.08 34.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.896 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.1 m-30 -55.23 -44.06 75.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.542 0.21 . . . . 0.0 111.522 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.16 -53.6 46.29 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HD2' ' C ' ' A' ' 16' ' ' CYS . 77.3 Cg_exo -51.66 -43.34 51.43 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.305 2.003 . . . . 0.0 112.787 174.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.5 m -65.5 -39.3 91.72 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.731 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -58.62 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -63.17 -28.79 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.861 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.679 ' HG2' ' HA ' ' A' ' 1' ' ' TRP . 39.8 mt-30 -77.67 -63.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 p -108.48 -30.12 8.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.31 -47.06 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.9 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 57.4 m -94.93 144.31 27.6 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 122.612 -0.346 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -86.47 22.32 0.96 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.146 2.564 . . . . 0.0 113.017 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.94 108.25 16.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.8 158.22 44.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.985 0.421 . . . . 0.0 111.996 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -146.79 147.42 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 26.4 p -89.35 119.0 29.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.034 0.445 . . . . 0.0 110.895 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mp -100.63 95.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.1 p30 43.15 17.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.884 1.674 . . . . 0.0 115.292 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 169.85 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.02 0.528 . . . . 0.0 110.06 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -112.26 128.78 56.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.195 0.522 . . . . 0.0 111.983 -171.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 92.0 m -75.12 99.26 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.003 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -85.82 126.58 34.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.153 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.39 148.07 32.13 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.184 176.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -79.82 23.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.91 70.64 0.99 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.916 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.468 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 36.6 t . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.284 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 34.6 p90 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.5 t -79.92 90.3 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -91.12 -3.99 56.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.6 m -117.19 -64.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.489 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.1 m 60.83 38.23 18.07 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.941 0.4 . . . . 0.0 111.24 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -88.85 -29.04 19.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.308 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -92.55 2.18 56.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.815 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' CYS . 20.5 tp -110.93 29.6 7.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.17 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 82.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.469 -173.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.1 t 58.57 44.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.972 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 m -77.56 -21.38 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 109.356 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.9 127.19 0.91 Allowed Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.38 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -61.3 -48.26 82.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 21.6 pttp -62.97 -32.36 73.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 110.508 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.39 -32.25 73.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.691 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 t -90.61 -20.02 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.143 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.1 m-30 -57.34 -45.79 83.97 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -55.32 44.59 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 119.643 -0.217 . . . . 0.0 111.423 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -58.75 -36.09 97.63 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.162 1.908 . . . . 0.0 112.523 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.75 -47.52 80.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.952 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -68.53 -26.36 65.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.222 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -80.47 -63.28 1.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.424 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -91.1 -31.74 16.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -171.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.96 -19.96 24.7 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -171.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -118.99 135.93 24.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.74 24.04 0.78 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.102 2.534 . . . . 0.0 113.51 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -86.9 96.2 10.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.64 165.11 25.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.685 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -156.96 149.38 23.22 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 29.4 p -87.79 113.74 23.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.882 0.372 . . . . 0.0 110.193 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.62 111.75 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.0 m120 -19.04 80.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.506 1.754 . . . . 0.0 114.127 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 86.6 tttt 157.31 -52.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.483 1.115 . . . . 0.0 109.01 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 p -157.89 163.36 37.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.031 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 11.9 p -91.25 125.45 36.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -117.64 144.5 45.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.1 m -90.78 150.62 21.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.218 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.26 -8.92 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.404 0.621 . . . . 0.0 109.867 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.75 -174.85 23.86 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.266 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.481 178.617 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.455 0.169 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.48 120.34 17.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.286 0.565 . . . . 0.0 110.466 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -64.26 -23.99 67.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.974 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -100.3 38.36 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.314 0.578 . . . . 0.0 110.734 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.9 m -124.27 90.36 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.358 0.599 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.67 -162.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.303 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.64 61.61 3.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.153 0.502 . . . . 0.0 111.104 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 mp -84.37 31.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.757 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 83.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.927 0.767 . . . . 0.0 112.759 -172.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.738 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 4.1 t 61.96 37.91 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.715 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -79.28 -21.52 45.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.619 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.86 135.79 2.58 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.374 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 m -64.86 -42.59 94.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.684 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 68.0 mttm -73.29 -28.87 62.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.123 0.487 . . . . 0.0 109.803 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.51 -32.25 72.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.338 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 77.0 m -80.48 -29.76 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.629 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.9 m-30 -55.72 -41.44 73.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.636 0.255 . . . . 0.0 111.532 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -58.54 16.88 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.89 -33.27 84.68 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.108 1.872 . . . . 0.0 112.253 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.53 -43.68 98.21 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.47 -39.13 93.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.174 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.89 -33.48 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.05 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -84.07 -58.9 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.323 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -91.46 -32.06 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -171.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 -20.99 37.55 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.415 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.2 m -100.63 138.49 20.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 110.348 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.32 18.16 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.895 2.397 . . . . 0.0 113.661 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -104.04 118.02 35.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.012 0.435 . . . . 0.0 110.804 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.79 174.38 12.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.39 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -148.88 142.72 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.738 ' HB2' ' HA ' ' A' ' 10' ' ' CYS . 22.2 p -99.34 131.29 45.46 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.159 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 pt -113.12 152.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 171.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.31 79.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.032 0.444 . . . . 0.0 110.658 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mttt 169.01 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 125.286 1.434 . . . . 0.0 108.979 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -163.2 166.5 23.24 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.81 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 57.5 m -87.91 118.74 27.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 172.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -105.96 161.84 14.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.758 0.314 . . . . 0.0 110.282 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.0 m -129.63 153.31 48.22 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -87.59 28.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.62 -63.9 4.14 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -165.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.538 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.475 0.655 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -84.67 146.58 27.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.674 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -90.92 34.97 0.9 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.388 0.613 . . . . 0.0 110.546 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -161.42 -135.29 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.703 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 60.0 m 77.9 82.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.325 0.583 . . . . 0.0 112.097 169.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.07 -61.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.53 90.35 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' CD2' ' HA ' ' A' ' 5' ' ' CYS . 4.2 mm? -80.77 23.73 0.52 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -171.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB2' ' HZ3' ' A' ' 34' ' ' LYS . . . -55.68 79.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.244 0.965 . . . . 0.0 111.875 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 t 50.01 52.92 13.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.999 -172.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 m -78.19 -6.39 54.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.781 0.8 . . . . 0.0 109.393 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.58 130.12 2.35 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.5 -50.68 68.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -59.65 -30.47 68.76 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.62 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.95 -45.88 69.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.274 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.3 t -82.43 -19.74 38.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.036 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -53.24 -41.25 65.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.26 -57.05 11.47 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.83 -40.05 87.01 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.875 1.717 . . . . 0.0 112.412 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -62.15 -44.35 96.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.906 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.51 -39.89 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.81 -33.41 75.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.211 0.529 . . . . 0.0 110.123 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -73.91 -65.13 0.87 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -109.0 0.56 20.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -171.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.47 -34.69 4.08 Favored Glycine 0 C--O 1.23 -0.145 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.015 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 28' ' ' ASN . 40.6 t -83.21 124.38 76.26 Favored Pre-proline 0 C--N 1.321 -0.664 0 C-N-CA 122.379 0.271 . . . . 0.0 110.394 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -87.16 13.67 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.908 2.405 . . . . 0.0 112.176 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.455 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 16.6 m120 -103.01 103.3 13.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -177.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.49 159.76 40.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.788 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -140.59 155.23 46.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.43 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.99 100.51 10.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.496 -173.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -133.98 142.12 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 53.88 44.39 29.54 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 9.1 mtpm? 55.4 23.66 5.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.57 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -129.97 126.74 38.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.73 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.46 94.81 6.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 172.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -92.23 124.56 36.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -84.69 156.59 21.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.414 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 7.6 m-30 -78.64 -2.28 38.32 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.068 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.73 41.1 93.93 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.754 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.543 ' SG ' ' HB2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.51 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.7 m-90 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.709 0.29 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' N ' ' SG ' ' A' ' 5' ' ' CYS . 17.9 p -90.67 155.56 18.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.25 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -71.16 -22.9 61.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -79.93 -17.72 52.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.58 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.568 ' HA ' HD22 ' A' ' 8' ' ' LEU . 3.9 p -109.53 29.0 7.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.289 0.566 . . . . 0.0 110.541 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.93 -70.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.48 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -95.73 95.43 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.399 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 5' ' ' CYS . 3.1 mm? -124.44 33.17 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.263 175.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.2 82.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.928 0.768 . . . . 0.0 112.193 -173.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LEU . 65.8 m 50.41 49.96 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.794 -176.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -78.0 -33.34 51.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.456 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.8 129.69 1.29 Allowed Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.19 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.2 t -54.56 -41.59 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.509 . . . . 0.0 109.832 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 20.6 ptmt -61.76 -25.3 67.37 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.477 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.897 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -81.29 -30.06 34.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.412 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.9 m-30 -45.34 -62.4 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.03 76.26 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.562 ' HB3' ' HB3' ' A' ' 5' ' ' CYS . 75.2 Cg_exo -54.43 -36.35 87.57 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.516 2.144 . . . . 0.0 113.176 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.2 m -69.7 -35.59 75.21 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.899 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.1 -42.46 98.56 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.539 ' HA ' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.19 -45.57 92.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.017 177.371 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.534 HE21 ' HB2' ' A' ' 5' ' ' CYS . 75.9 mt-30 -64.98 -59.43 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.027 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.876 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 40.9 p -119.86 -15.15 8.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -166.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.16 -29.72 11.5 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.953 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 87.2 m -94.58 125.25 52.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.709 0.29 . . . . 0.0 110.246 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -88.95 17.99 1.54 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.159 2.573 . . . . 0.0 114.671 -171.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -95.93 140.63 30.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.883 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.72 142.83 12.56 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -125.94 148.96 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.9 t -100.99 130.87 47.05 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.191 -172.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.67 152.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -63.51 54.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? 174.26 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.49 0.716 . . . . 0.0 110.491 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -159.57 138.14 10.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.621 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.3 t -79.62 122.72 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.76 125.36 51.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 -170.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.85 158.02 29.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.992 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.68 12.72 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -169.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.3 136.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.876 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 6.6 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.955 -0.545 . . . . 0.0 109.662 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.905 0.383 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.9 t -90.25 108.48 19.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 110.589 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -72.64 -20.75 61.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.827 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t -99.04 12.1 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.231 0.539 . . . . 0.0 110.537 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 76.0 m -115.26 102.22 9.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -83.11 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -145.69 132.05 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.758 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' CYS . 70.1 mt -130.6 19.96 5.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.259 0.974 . . . . 0.0 111.743 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 45.5 m 55.73 47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.512 -175.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.64 -4.98 51.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.131 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.78 138.3 4.06 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -65.5 -47.62 75.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.466 0.633 . . . . 0.0 110.097 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.693 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 63.2 pttt -71.06 -23.11 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.394 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.37 -29.09 57.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 109.733 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.92 -22.27 22.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.093 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.693 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.2 m-30 -52.39 -57.1 10.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.23 -54.39 53.37 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 70.2 Cg_exo -54.59 -44.45 49.44 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.362 2.041 . . . . 0.0 112.721 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.89 -41.63 98.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.29 -38.97 92.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.017 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -64.74 -37.57 88.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -74.49 -53.2 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.444 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -125.73 9.12 7.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 -17.52 10.99 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.976 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 47.6 t -84.75 122.43 74.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.587 0.232 . . . . 0.0 110.985 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.06 14.45 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.816 2.344 . . . . 0.0 112.371 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 9.3 m120 -113.11 99.51 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.266 0.555 . . . . 0.0 110.855 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.87 125.38 43.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.657 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -121.67 119.44 31.82 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.72 105.86 14.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.135 0.493 . . . . 0.0 110.157 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pp -121.49 143.83 32.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.728 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 59.24 27.9 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 55.9 mtmt 70.16 24.41 4.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.198 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 m -135.96 132.78 36.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.78 111.62 6.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -109.02 119.18 38.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.41 146.35 24.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.266 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 28' ' ' ASN . 45.1 m-85 -78.5 -7.94 58.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.455 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.78 -45.99 3.57 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.451 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 68.6 m . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.014 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.777 0.322 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t -88.71 155.62 19.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.587 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -53.63 -55.47 25.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 110.537 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.8 p -123.76 -80.54 0.63 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.09 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m 50.45 63.66 2.12 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.409 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.13 -58.52 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -156.57 122.2 4.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.131 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' CYS . 79.4 mt -93.43 47.54 1.25 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.212 -174.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.19 83.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.985 0.803 . . . . 0.0 112.162 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 36.4 m 59.38 52.23 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.016 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' A' ' 8' ' ' LEU . 37.0 p -80.87 -3.8 52.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.397 169.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.97 126.94 3.73 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -174.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.9 m -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.208 0.504 . . . . 0.0 110.07 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 49.1 pttt -64.21 -23.78 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.36 -48.31 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 73.0 m -59.44 -28.75 67.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.37 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.647 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.8 m-30 -51.47 -40.94 60.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -59.64 10.72 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -175.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 13.6 Cg_exo -69.84 -26.43 27.21 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.056 1.837 . . . . 0.0 111.33 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.73 -53.15 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -62.1 -49.05 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -55.28 -38.57 68.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.175 -176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -100.81 -48.95 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 p -84.31 -26.7 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.02 -173.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -23.33 34.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.196 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.55 133.54 21.82 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 120.635 0.255 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -90.91 25.13 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.29 2.66 . . . . 0.0 113.476 -175.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.79 109.11 19.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.106 0.479 . . . . 0.0 111.412 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.493 ' H ' ' HE1' ' A' ' 17' ' ' TYR . . . -139.47 167.21 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.349 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -160.53 140.61 11.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.2 t -93.11 103.0 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.502 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.22 129.52 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 61.36 34.81 18.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 109.986 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 84.1 mttt 68.23 6.1 5.08 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.647 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -101.84 103.06 13.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.9 t -83.35 95.6 8.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -107.38 159.67 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.205 -173.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.8 142.33 34.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.236 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -79.51 -7.09 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.958 0.408 . . . . 0.0 110.847 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.65 -178.48 52.44 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.998 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.35 -179.331 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.5 0.19 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 9.2 p -91.4 81.34 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.178 0.513 . . . . 0.0 110.12 176.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -51.27 -38.38 52.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.033 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -117.36 53.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 22.1 p -113.99 -25.66 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 175.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.59 -26.12 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.042 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -110.48 27.8 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.9 0.857 . . . . 0.0 109.739 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.0 tp -118.16 18.53 13.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.607 0.717 . . . . 0.0 109.835 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 86.26 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.156 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m 65.3 37.36 6.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.759 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -78.86 -31.45 45.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . 172.88 127.9 1.01 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 p -63.13 -41.47 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.16 0.48 . . . . 0.0 110.969 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.6 ptpt -62.46 -29.45 70.54 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 110.321 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 10.7 m-20 -68.96 -46.73 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.785 173.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.16 -33.3 69.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.526 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.2 m-30 -52.77 -40.58 63.29 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -58.54 9.85 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -63.35 -31.23 73.19 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.143 1.895 . . . . 0.0 111.921 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.63 -47.38 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.053 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.604 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 50.9 ttp180 -65.16 -39.22 92.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.633 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.58 -35.1 76.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.79 -61.87 1.72 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.9 t -107.01 1.11 24.13 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.71 -37.21 3.26 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.621 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.1 m -102.77 115.8 63.66 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.604 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 58.6 Cg_endo -80.68 28.13 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.452 2.768 . . . . 0.0 114.077 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -99.48 108.24 20.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.517 0.675 . . . . 0.0 110.518 177.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.46 156.12 45.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.591 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -132.0 128.66 38.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 14.3 p -81.74 142.72 32.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.509 0.671 . . . . 0.0 111.737 -171.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' LYS . 26.7 pt -124.24 158.57 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -65.29 74.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.256 0.551 . . . . 0.0 111.519 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' ILE . 39.8 ttmt 172.5 -47.5 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.56 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.6 m -160.6 168.88 24.04 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 36.0 m -88.25 105.11 17.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.35 109.49 15.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.184 0.516 . . . . 0.0 110.972 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.2 m -81.27 149.23 29.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.339 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -85.17 14.38 5.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.78 -61.09 4.07 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -172.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.182 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.764 ' HB2' ' HA ' ' A' ' 23' ' ' GLN . 89.0 m95 . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.524 0.202 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.495 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 20.7 p -90.71 98.87 12.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.727 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 p -84.98 2.69 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.267 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.1 m -85.64 56.23 3.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.259 0.552 . . . . 0.0 110.852 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.48 -59.29 2.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -147.03 122.08 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.658 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 1.1 pt? -141.74 24.85 2.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.307 0.575 . . . . 0.0 110.484 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.11 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.0 m 67.83 46.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.686 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -86.43 11.57 12.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.966 0.888 . . . . 0.0 108.947 173.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.18 121.45 3.96 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.236 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -39.29 82.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.304 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -75.1 -11.4 60.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.36 -44.64 12.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.1 m -61.69 -22.06 65.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.653 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 27' ' ' PRO . 12.1 m-30 -47.61 -40.91 20.65 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 123.205 0.316 . . . . 0.0 111.381 173.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.84 6.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.916 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.83 -45.9 37.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.429 2.086 . . . . 0.0 112.907 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.8 m -64.0 -43.64 95.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.511 0.196 . . . . 0.0 110.942 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 25.0 ttt180 -61.87 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 2' ' ' CYS . 53.0 tttp -65.78 -38.54 89.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.626 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.764 ' HA ' ' HB2' ' A' ' 1' ' ' TRP . 56.0 tp60 -75.92 -53.95 7.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.999 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.651 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 45.2 p -110.59 -22.46 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.66 -35.72 4.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.811 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 64.1 m -97.72 123.62 51.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' O ' ' HA ' ' A' ' 17' ' ' TYR . 74.1 Cg_endo -75.03 -24.02 13.18 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.733 2.289 . . . . 0.0 113.627 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -56.28 123.04 13.25 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.041 0.448 . . . . 0.0 112.127 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.28 169.84 21.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.732 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -149.65 138.08 20.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.81 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 3.2 p -88.36 136.34 33.03 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.171 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -118.73 159.03 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -68.4 74.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.397 0.435 . . . . 0.0 111.257 -175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 168.73 -43.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.202 1.001 . . . . 0.0 109.113 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -162.75 160.51 25.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.1 t -91.53 110.51 21.83 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -103.85 133.79 48.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 111.105 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.2 m -79.9 162.88 24.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.706 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.34 143.02 13.87 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.049 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.651 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 34.9 t . . . . . 0 C--O 1.249 1.029 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.5 t -80.58 101.4 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 0.0 110.994 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -91.16 9.1 32.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.98 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -150.45 80.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.897 0.38 . . . . 0.0 111.23 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 p -170.15 60.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.113 0.482 . . . . 0.0 110.563 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 tp -83.47 -74.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.919 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -124.24 77.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.9 mp -103.96 40.83 1.37 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.466 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 82.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.885 0.741 . . . . 0.0 111.58 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.8 m 57.77 47.31 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.887 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -80.21 -14.58 58.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.292 173.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.15 125.08 1.48 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.384 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 m -57.41 -40.29 77.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.26 0.53 . . . . 0.0 110.96 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' CD1' ' A' ' 17' ' ' TYR . 67.8 mttm -76.4 -15.59 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.742 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.96 -29.25 43.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 59.9 m -79.39 -21.33 45.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.021 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 14' ' ' LYS . 3.8 m-30 -45.01 -55.03 5.92 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.565 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.74 -56.66 30.43 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.297 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.248 1.966 . . . . 0.0 112.928 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.8 m -66.1 -37.34 85.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.287 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -68.57 -39.88 80.81 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.76 -45.5 82.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.045 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.66 -54.61 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.423 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -90.8 -39.87 12.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.37 -16.8 24.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.411 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.3 m -112.8 137.73 21.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.691 0.282 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -82.9 17.83 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.984 2.456 . . . . 0.0 113.387 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -79.6 100.63 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.776 0.322 . . . . 0.0 110.202 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.6 154.85 45.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.428 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -151.14 156.45 41.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 10' ' ' CYS . 16.2 p -96.27 147.98 23.22 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.159 -177.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -122.86 165.23 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -69.54 61.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -171.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 177.21 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.679 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -161.41 178.79 8.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.094 0.474 . . . . 0.0 111.331 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 58.3 m -91.97 136.55 33.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 175.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -111.43 143.46 42.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.3 m -104.38 144.42 31.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.4 ' HD1' ' N ' ' A' ' 39' ' ' TYR . 1.3 m-30 -79.21 -18.61 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.411 0.624 . . . . 0.0 109.872 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.92 -164.37 12.35 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.255 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.751 -179.698 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 6.4 p -92.81 125.49 37.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.093 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -77.66 -34.8 52.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.435 0.636 . . . . 0.0 109.481 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.0 m -136.75 103.74 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.408 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 5.8 p -140.48 -60.53 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.837 0.351 . . . . 0.0 111.6 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.98 4.75 43.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.576 0.703 . . . . 0.0 109.261 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.54 -2.0 58.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.27 -177.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD13 ' HB ' ' A' ' 11' ' ' THR . 3.0 mm? -88.23 53.37 2.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.007 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.37 82.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.05 0.844 . . . . 0.0 111.472 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.7 m 54.5 47.49 22.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.837 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.459 ' HB ' HD13 ' A' ' 8' ' ' LEU . 14.8 m -86.19 -13.52 46.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.265 173.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.01 124.03 1.84 Allowed Glycine 0 N--CA 1.44 -1.05 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.539 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -56.2 -46.26 79.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.1 ptpt -62.67 -26.33 68.59 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.202 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.67 -43.7 46.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.342 0.591 . . . . 0.0 109.703 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.6 t -81.68 -8.84 59.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.937 -175.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 7.6 m-30 -44.36 -53.67 6.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.578 0.227 . . . . 0.0 111.531 173.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -57.12 24.25 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -53.89 -45.99 36.95 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.318 2.012 . . . . 0.0 112.776 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.21 -46.88 88.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.358 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -64.75 -40.14 94.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.898 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -64.7 -39.23 93.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.628 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.87 -55.25 5.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -92.61 -40.43 10.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.927 0.394 . . . . 0.0 111.956 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.63 -17.64 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.443 -172.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.5 t -86.34 127.05 62.68 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.662 0.267 . . . . 0.0 110.916 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.76 10.64 3.61 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.848 2.365 . . . . 0.0 112.817 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -116.52 111.57 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.052 0.453 . . . . 0.0 110.72 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.18 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -133.93 129.62 36.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.38 120.47 26.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.234 0.54 . . . . 0.0 111.184 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.5 pt -132.16 140.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.266 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' A' ' 35' ' ' SER . 16.8 m120 49.26 49.66 19.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.43 0.456 . . . . 0.0 110.274 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 32.2 mtmm 70.99 -28.65 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.126 0.97 . . . . 0.0 112.265 -176.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 33' ' ' ASN . 33.0 t -81.67 124.63 29.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.862 0.363 . . . . 0.0 111.675 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.73 100.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 168.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.25 124.29 39.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 0.0 110.648 -175.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.9 m -89.28 144.75 25.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.155 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -79.25 1.13 25.87 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.51 92.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.934 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.21 -173.991 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 51.8 t -90.43 115.66 27.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -78.35 -7.69 57.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -119.01 20.82 12.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.459 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 80.1 m -123.54 49.25 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.24 -3.77 15.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.699 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.28 56.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -173.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.0 mp -107.73 47.76 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.1 176.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.07 83.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.183 -174.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.8 m 57.04 49.58 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.633 -176.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -78.01 -10.07 59.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.671 171.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.18 131.94 3.71 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.9 176.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 p -62.6 -42.05 99.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.509 0.655 . . . . 0.0 109.6 178.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.8 ptmm? -52.14 -36.0 50.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.085 173.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.01 -40.58 24.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.623 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.528 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 98.8 m -62.3 -28.09 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.627 178.458 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.8 m-30 -57.54 -33.79 68.46 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.42 -61.45 5.94 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.528 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 3.8 Cg_exo -73.93 -26.43 13.2 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.059 1.84 . . . . 0.0 110.614 -177.093 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.42 -57.58 11.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.05 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 2.7 tmt_? -59.39 -42.92 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.96 -33.84 75.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.592 -178.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 -60.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.773 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -93.23 -5.07 50.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.964 -170.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.25 -43.25 2.14 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.435 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 33.6 m -103.9 133.29 20.34 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.071 0.462 . . . . 0.0 111.127 -178.106 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -84.96 35.99 0.55 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.762 2.974 . . . . 0.0 113.182 -178.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.14 101.34 10.75 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.115 0.483 . . . . 0.0 110.707 177.165 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.56 151.8 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.47 -179.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -145.07 137.86 26.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 p -94.43 119.44 33.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.607 0.717 . . . . 0.0 110.091 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.41 131.04 57.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.84 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.71 36.23 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.018 0.437 . . . . 0.0 110.049 -177.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 67.4 12.51 8.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.902 -178.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.6 t -110.31 110.69 21.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.0 t -82.66 95.55 7.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -99.75 126.23 45.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.194 -172.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.1 m -79.76 145.3 32.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.533 172.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.94 9.78 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.069 0.461 . . . . 0.0 110.425 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 81.93 -148.27 27.05 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.5 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.324 178.778 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.511 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 5.8 p -90.92 140.42 29.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.595 175.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.657 ' HB3' ' HB2' ' A' ' 19' ' ' PRO . 1.3 p -83.8 -11.58 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 p -93.1 -32.31 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.361 . . . . 0.0 111.546 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -15.08 52.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.286 0.565 . . . . 0.0 110.449 -178.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' HD12 ' A' ' 8' ' ' LEU . 59.5 tp -120.71 123.71 43.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.575 178.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.33 87.47 7.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 6' ' ' LEU . 5.3 mp -83.9 57.57 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.895 176.195 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.38 85.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.742 0.651 . . . . 0.0 111.468 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' LEU . 20.9 m 54.78 47.03 23.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.97 -175.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -78.48 -8.24 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 170.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.55 119.38 1.95 Allowed Glycine 0 N--CA 1.434 -1.435 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.8 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -60.8 -34.54 74.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 66.7 mttm -56.26 -40.13 73.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.419 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.05 -48.98 55.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.683 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -67.93 -18.18 64.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.688 -174.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.2 m-85 -52.35 -46.47 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.598 0.237 . . . . 0.0 111.05 176.149 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.06 -58.15 15.57 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.226 -176.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.657 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 34.3 Cg_exo -60.32 -38.91 71.82 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.75 . . . . 0.0 112.423 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.0 t -65.63 -47.03 76.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.346 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -63.38 -41.96 98.81 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -65.66 -33.83 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.534 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.511 ' NE2' ' HB2' ' A' ' 2' ' ' CYS . 44.2 mt-30 -75.59 -61.52 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 t -95.74 -30.27 13.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 -171.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.89 -41.54 1.64 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.676 -177.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 61.0 m -105.82 139.45 20.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.755 -0.262 . . . . 0.0 110.686 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -83.47 26.47 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.252 2.634 . . . . 0.0 113.042 -177.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -76.45 78.52 3.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.16 130.86 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -125.24 129.18 49.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -79.45 120.88 24.48 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.68 0.752 . . . . 0.0 110.341 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 35' ' ' SER . 24.9 pt -103.44 163.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 170.182 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -45.23 -35.88 3.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -170.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -100.12 -25.87 14.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 32' ' ' ILE . 25.1 m -159.07 165.09 34.69 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.72 -0.612 . . . . 0.0 111.955 -168.273 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.7 m -91.16 105.43 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 169.192 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -92.04 117.09 29.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.156 -173.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.5 m -85.43 143.46 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.707 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.53 1.02 23.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.707 0.289 . . . . 0.0 111.67 -174.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.28 105.14 0.19 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.191 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 38.8 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.863 -177.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 81.4 m95 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.593 0.235 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p -90.58 114.16 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 111.583 -174.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 m -77.62 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.299 0.571 . . . . 0.0 110.088 176.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -78.57 -17.43 56.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.378 175.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 63.3 m -83.37 73.76 10.13 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.172 175.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -77.75 -56.51 4.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.9 -176.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.37 125.52 38.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.183 0.516 . . . . 0.0 109.984 174.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.12 7.63 29.73 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' ' 34' ' ' LYS . . . -61.73 77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.558 -175.229 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.2 m 61.02 50.62 4.94 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.797 -171.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -78.85 -16.09 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.149 172.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.16 139.32 4.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.0 -179.033 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 p -62.55 -49.93 73.34 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.602 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 29.5 mmtp -61.43 -40.5 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.805 178.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.2 -33.33 75.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.025 -178.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.86 -20.69 23.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.891 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 11.3 m-85 -50.06 -50.29 48.44 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -57.75 21.78 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.155 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.49 -40.31 58.18 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.171 1.914 . . . . 0.0 112.673 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.02 -44.79 94.37 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.604 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 60.2 ttt180 -66.9 -38.83 87.01 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.467 177.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.648 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -86.65 -58.15 2.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.57 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -95.22 -30.99 13.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -173.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.93 -8.96 50.8 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -171.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.1 t -91.16 116.54 66.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.724 0.297 . . . . 0.0 110.213 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.604 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 87.6 Cg_endo -85.39 12.74 2.97 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.781 2.321 . . . . 0.0 113.282 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -120.68 118.56 30.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 0.0 110.493 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.32 156.27 43.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.571 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 61.9 tttm -150.59 139.39 20.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.273 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -88.11 132.77 34.19 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.982 -176.751 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 pt -137.86 139.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.537 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 47.26 40.83 11.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.656 0.382 . . . . 0.0 111.803 -178.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 28.3 mtpp 54.89 47.27 22.63 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.019 -174.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -151.78 125.6 9.07 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 170.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 49.4 t -76.39 113.03 13.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.461 -178.057 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 30' ' ' LYS . 13.1 ptmm? -89.59 135.68 33.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m -104.12 145.76 29.72 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -78.09 0.37 24.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.74 -172.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.65 39.86 93.98 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.796 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 80.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.236 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.99 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 6.4 m95 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.021 0.438 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.22 -171.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.926 178.244 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -90.06 -76.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.966 0.412 . . . . 0.0 111.4 -178.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -81.41 -28.09 34.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.8 m 49.55 59.08 4.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.475 0.655 . . . . 0.0 112.268 174.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.83 -66.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.389 172.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -139.68 134.36 31.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.262 171.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -121.98 1.6 9.84 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.496 0.665 . . . . 0.0 110.322 178.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 82.92 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.279 -172.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.3 m 60.86 51.35 4.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.289 -175.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -79.79 21.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.281 0.562 . . . . 0.0 110.782 174.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.64 130.67 7.11 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -173.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -59.35 -45.73 90.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.023 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.6 pttp -63.92 -14.86 56.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -86.7 -57.07 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.853 0.358 . . . . 0.0 110.044 175.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.5 t -69.09 -15.9 63.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.238 -170.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.6 m-85 -50.75 -43.66 58.25 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.543 173.146 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 22' ' ' LYS . . . -67.02 -58.62 8.94 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.776 -176.005 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 23' ' ' GLN . 49.5 Cg_exo -57.47 -37.77 96.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 122.03 1.82 . . . . 0.0 112.669 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.3 t -62.79 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.44 -37.74 87.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 175.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 18' ' ' ALA . 8.6 mtpm? -62.73 -38.59 91.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.28 178.031 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.99 ' HG2' ' HB2' ' A' ' 1' ' ' TRP . 23.9 mt-30 -82.34 -52.58 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.805 -177.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.83 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 80.7 p -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 -14.88 50.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.591 -173.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.92 129.21 25.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -82.64 19.89 1.22 Allowed 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.995 2.463 . . . . 0.0 113.09 -176.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -89.77 91.6 8.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.958 0.408 . . . . 0.0 111.005 -178.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.35 166.26 18.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -159.53 161.04 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.624 177.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -96.94 118.36 33.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.823 179.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 pt -140.9 140.98 32.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.178 172.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 52.3 42.6 31.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.254 177.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mttp 54.38 36.93 26.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.996 -177.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -148.42 148.73 30.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.9 t -90.71 128.22 36.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.803 0.335 . . . . 0.0 110.127 178.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -119.65 153.6 35.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.217 178.099 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.05 150.51 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -78.94 2.63 19.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 111.671 -175.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.48 130.65 6.76 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.247 177.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.83 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 22.7 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -179.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 10.6 m0 . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.645 0.259 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.8 p -92.43 117.59 30.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.893 0.378 . . . . 0.0 110.787 178.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -72.91 -23.59 60.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.671 -179.205 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -83.59 23.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.471 0.653 . . . . 0.0 110.83 177.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 92.0 m -113.13 57.02 0.67 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.69 0.757 . . . . 0.0 110.181 177.508 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 tp -114.82 -37.28 4.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.198 174.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 56.83 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.83 177.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.3 pp -116.02 19.85 14.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.282 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.65 83.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.627 -175.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 8' ' ' LEU . 1.3 m 53.22 58.35 5.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.713 -172.542 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.402 HG21 ' HB3' ' A' ' 15' ' ' ASP . 8.8 t -78.04 6.26 8.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.31 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.61 137.03 8.99 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 p -55.68 -46.22 77.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.191 0.495 . . . . 0.0 111.202 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.1 ptpp? -64.74 -21.18 66.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -178.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 11' ' ' THR . 13.7 t70 -88.71 -40.36 13.31 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 84.4 m -60.14 -26.82 66.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 20.6 m-30 -53.67 -37.01 62.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.57 176.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -57.95 8.77 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.9 -177.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 66.2 Cg_exo -54.35 -44.34 50.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.236 1.958 . . . . 0.0 112.3 175.49 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -59.24 -44.51 92.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 63.1 ttt180 -65.0 -42.92 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.451 178.709 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.49 -22.22 64.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -97.45 -52.71 3.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -91.18 -31.52 16.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.849 0.357 . . . . 0.0 111.71 -174.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 -9.79 57.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.426 -171.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.0 m -114.9 130.24 24.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.507 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 27.6 Cg_endo -89.41 28.14 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.375 2.716 . . . . 0.0 114.227 -172.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 39' ' ' TYR . 19.5 p-10 -112.89 108.95 18.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.565 0.698 . . . . 0.0 112.024 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -143.64 162.24 36.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.296 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -140.97 130.17 23.51 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -82.79 115.31 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.987 -178.697 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 pt -132.83 141.26 45.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.713 176.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 54.77 34.71 22.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.477 0.485 . . . . 0.0 110.012 -174.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 56.8 mtpt 64.78 14.87 9.46 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.044 -178.53 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 14.4 m -116.34 131.31 56.98 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 67.7 m -75.12 84.11 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 109.954 177.29 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 122.77 29.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.959 -175.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 78.1 m -78.87 153.01 30.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 -177.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 96.9 m-85 -79.41 -2.5 42.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.434 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 141.45 10.91 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.841 178.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.31 -179.196 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 83.68 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.952 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.5 m 60.53 47.79 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.534 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -78.99 -13.97 59.48 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 123.77 1.93 Allowed Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.582 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.0 m -60.25 -44.26 95.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.273 0.537 . . . . 0.0 109.974 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 98.1 mttt -64.44 -26.6 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.36 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.14 -41.62 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -77.34 -15.05 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.063 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.4 m-30 -52.38 -46.78 66.37 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.608 0.242 . . . . 0.0 111.458 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.676 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.21 -55.06 22.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.575 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 79.9 Cg_exo -50.2 -46.42 28.7 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.592 2.195 . . . . 0.0 112.975 174.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.93 -41.37 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 38.9 ttm180 -59.29 -45.94 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.272 0.558 . . . . 0.0 110.167 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -73.54 -17.51 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.311 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.02 -55.64 3.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.828 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.563 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 73.0 p -102.35 -28.75 12.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 -16.69 29.9 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 90.5 m -117.58 123.12 30.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.685 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 45.6 Cg_endo -83.72 27.67 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.301 2.667 . . . . 0.0 113.738 -174.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -106.23 108.36 19.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.42 163.88 35.81 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.728 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -144.89 143.09 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 23.0 p -84.07 109.23 17.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.607 HD11 ' HE2' ' A' ' 37' ' ' LYS . 15.2 pt -144.26 155.66 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 10.0 t30 63.8 21.91 12.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.134 0.969 . . . . 0.0 109.641 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 66.39 28.92 9.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.921 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -151.41 150.53 30.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 98.3 m -81.89 94.29 7.07 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.904 -0.498 . . . . 0.0 110.315 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.607 ' HE2' HD11 ' A' ' 32' ' ' ILE . 31.7 ttpt -83.24 134.18 34.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.203 -176.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.3 m -90.31 148.11 23.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.796 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -82.72 20.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.71 0.29 . . . . 0.0 111.374 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.12 152.42 22.51 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.465 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 37.5 t . . . . . 0 C--O 1.248 0.975 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 mm? . . . . . 0 C--O 1.234 0.278 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -53.9 81.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.176 0.922 . . . . 0.0 112.746 -171.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.1 m 52.66 45.06 29.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.189 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -78.96 -13.03 60.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.851 0.834 . . . . 0.0 108.837 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.13 134.99 2.89 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.432 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -64.92 -39.3 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 0.0 110.373 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 48.1 mmtm -58.22 -38.83 77.59 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.338 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.75 -44.59 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.762 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.25 -32.6 71.3 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.606 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 19.9 m-85 -51.1 -48.22 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -63.49 -58.09 17.0 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -176.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 65.9 Cg_exo -53.66 -44.68 47.02 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.337 2.025 . . . . 0.0 112.735 177.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.9 t -61.09 -46.36 90.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.689 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 47.2 ttt180 -61.9 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.12 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -65.43 -27.25 68.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.736 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -80.7 -65.89 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.419 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.5 p -86.0 -32.17 21.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.515 -172.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.07 -21.13 10.36 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB3' ' ND2' ' A' ' 28' ' ' ASN . 84.4 m -123.41 139.64 32.34 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.585 0.231 . . . . 0.0 110.436 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 61.4 Cg_endo -89.41 16.68 1.73 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.058 2.506 . . . . 0.0 114.646 -172.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 26' ' ' CYS . 3.3 p30 -81.64 91.77 6.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.465 0.65 . . . . 0.0 111.172 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.624 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -137.85 151.33 47.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.659 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -149.24 145.66 27.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 16.2 p -92.01 108.14 19.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.354 0.597 . . . . 0.0 110.449 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.94 118.32 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.504 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.8 t30 56.4 47.9 18.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.683 0.614 . . . . 0.0 109.405 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 33.5 mmtp 73.25 -15.07 0.56 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.278 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.9 m -86.72 104.75 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.109 -0.37 . . . . 0.0 110.878 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 49.5 t -64.27 108.12 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.53 129.9 53.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 110.574 -173.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -88.12 146.47 25.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.511 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -79.53 -16.01 56.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.25 0.548 . . . . 0.0 110.014 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.13 -140.69 11.95 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.895 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.361 179.084 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.583 HD12 HG21 ' A' ' 11' ' ' THR . 1.9 mm? . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.454 0.169 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.17 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.772 0.67 . . . . 0.0 111.747 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.7 m 57.59 45.61 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.98 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 8' ' ' LEU . 15.4 t -79.1 -15.07 58.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 109.132 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.62 134.9 2.66 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.178 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.2 m -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.9 0.35 . . . . 0.0 110.729 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.3 ptpt -65.38 -21.29 66.66 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.935 0.397 . . . . 0.0 110.565 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.05 -52.61 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -64.52 -17.01 63.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.471 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.682 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -53.38 -41.3 65.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.85 -56.74 13.2 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.974 -176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.9 Cg_exo -56.01 -37.86 95.57 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 121.941 1.76 . . . . 0.0 112.052 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 48.0 t -63.44 -41.66 98.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.448 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 21' ' ' ARG . 26.2 ttm-85 -62.51 -40.87 98.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.936 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -61.74 -39.02 90.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.171 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.98 -55.75 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.093 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 p -99.47 -29.16 12.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -172.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.42 -19.67 31.27 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.227 -172.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.04 128.46 25.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.828 0.347 . . . . 0.0 110.097 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.29 22.49 0.81 Allowed 'Trans proline' 0 CA--C 1.527 0.134 0 C-N-CA 122.957 2.438 . . . . 0.0 113.699 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.64 93.41 9.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.21 0.529 . . . . 0.0 110.646 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -125.43 149.39 48.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.18 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.58 129.43 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 7.9 t -85.34 111.52 19.98 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.385 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 35' ' ' SER . 13.9 pt -81.33 -178.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 166.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -53.77 97.96 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.875 0.845 . . . . 0.0 112.194 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 68.74 28.28 5.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.541 -1.208 . . . . 0.0 112.329 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.5 m -154.92 112.57 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 111.783 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 90.5 m -78.61 93.4 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.217 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -89.0 141.92 28.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 -175.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.8 m -93.05 146.41 23.66 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.88 -15.7 58.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.978 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.53 -178.29 18.42 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.202 -179.018 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.34 83.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.858 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.47 51.67 3.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.988 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -78.68 0.29 27.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.712 171.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.28 137.45 7.33 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.271 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -57.45 -42.97 83.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.923 0.362 . . . . 0.0 110.195 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -62.56 -22.89 66.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.64 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.26 -44.68 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.56 -16.77 63.48 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.383 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.9 m-30 -50.93 -46.31 60.85 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -61.97 -58.78 15.78 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.8 Cg_exo -57.37 -43.13 54.79 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.099 1.866 . . . . 0.0 112.649 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.83 -46.87 83.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.337 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.782 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 78.5 ttt180 -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.6 -36.07 82.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.346 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.77 -53.02 5.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 p -93.26 -28.42 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -171.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -12.2 56.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.504 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.36 115.35 25.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.782 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 65.6 Cg_endo -74.69 -20.46 17.62 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.826 2.351 . . . . 0.0 114.32 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.73 103.96 0.19 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.0 112.39 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.19 160.23 42.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.598 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -144.36 143.39 30.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.8 p -87.43 107.11 18.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.773 0.797 . . . . 0.0 110.741 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.971 HD11 ' HD3' ' A' ' 37' ' ' LYS . 22.2 pt -118.04 143.67 28.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.343 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 54.75 36.68 26.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.773 -170.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 59.42 28.67 18.09 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.852 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -139.28 123.95 18.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 84.5 m -72.23 104.02 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.087 0.47 . . . . 0.0 111.059 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.971 ' HD3' HD11 ' A' ' 32' ' ' ILE . 45.8 mtpt -94.07 132.88 38.13 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.13 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -93.07 149.36 21.28 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.806 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -86.72 16.19 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 0.0 110.329 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 -112.5 4.36 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -172.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.685 . . . . 0.0 109.816 174.124 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 15' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.67 79.43 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.691 0.619 . . . . 0.0 111.158 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.4 t 48.55 48.21 19.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.739 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.405 ' HB ' HD13 ' A' ' 8' ' ' LEU . 4.3 m -89.5 32.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.123 0.964 . . . . 0.0 109.146 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.28 107.01 3.15 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.744 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.8 m -57.5 -30.59 65.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 60.6 mttm -56.33 -34.45 66.57 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.081 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' HD11 ' A' ' 8' ' ' LEU . 7.9 t0 -77.28 -49.18 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 15.9 t -68.12 -10.15 51.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.075 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 13.5 m-30 -52.27 -42.75 63.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.684 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.28 -56.12 21.61 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.911 -177.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.0 Cg_exo -54.67 -44.14 52.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.236 1.958 . . . . 0.0 112.65 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.8 -46.0 91.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.699 0.285 . . . . 0.0 110.386 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -60.44 -44.08 96.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.685 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.33 -29.65 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -82.79 -62.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -87.92 -29.75 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.939 0.399 . . . . 0.0 111.445 -173.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.17 -8.92 38.88 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.618 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.8 m -131.51 135.15 26.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.612 0.244 . . . . 0.0 110.48 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.92 26.59 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.585 2.856 . . . . 0.0 113.961 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 2.9 m-20 -83.19 93.07 7.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.13 145.27 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 111.823 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -148.86 135.12 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.179 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 11.8 p -83.51 123.6 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.36 0.6 . . . . 0.0 111.198 -175.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.481 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.4 pp -140.42 144.53 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 55.51 44.81 26.24 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.15 32.2 1.38 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.613 1.165 . . . . 0.0 112.387 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -139.76 132.86 29.6 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.7 p -79.92 104.51 10.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.423 0.63 . . . . 0.0 110.417 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 35.3 ttpt -90.68 136.05 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.95 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 80.2 m -91.26 147.27 23.17 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -79.62 22.51 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.57 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -170.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.529 173.755 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -56.44 81.06 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.206 0.941 . . . . 0.0 112.598 -169.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 83.9 m 55.67 44.72 25.97 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.315 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -14.65 59.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.772 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.55 134.15 2.66 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.471 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.566 ' O ' ' HD1' ' A' ' 17' ' ' TYR . 30.4 m -60.04 -45.22 93.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' TYR . 21.5 pttp -54.81 -31.07 58.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.334 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.12 -47.34 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.092 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.06 -16.66 64.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.163 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.7 m-85 -53.33 -40.93 65.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.031 173.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.52 -58.17 12.58 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.865 -175.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 33.5 Cg_exo -59.85 -43.67 35.9 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.974 1.783 . . . . 0.0 112.481 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.17 -47.58 85.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.693 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 40.7 ttp-105 -68.84 -38.08 79.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.33 -28.73 68.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.394 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.812 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 57.1 p -83.04 -41.29 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 112.009 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.61 -19.51 11.4 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -169.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -106.91 127.26 28.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 70.5 Cg_endo -87.92 12.51 2.85 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.892 2.395 . . . . 0.0 112.841 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.5 95.35 3.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.43 148.66 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.111 0.481 . . . . 0.0 111.911 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -140.97 129.53 22.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.826 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 19.8 t -83.26 120.39 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.237 -176.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 32' ' ' ILE . 26.2 pt -133.16 138.06 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.632 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.67 40.13 30.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 6.1 mptp? 63.06 23.47 13.99 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -140.01 119.34 12.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.169 0.509 . . . . 0.0 110.306 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 71.9 m -72.29 111.07 7.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.755 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -95.76 162.74 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.6 m -110.04 152.12 26.33 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.43 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -80.0 26.92 0.32 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.651 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 126.07 0.27 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.359 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.812 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 21.3 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.509 -0.757 . . . . 0.0 109.121 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 6.0 mp . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.587 0.232 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.69 83.34 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.099 0.875 . . . . 0.0 111.116 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LEU . 16.5 m 59.11 48.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.961 -174.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 20.5 p -78.57 -28.86 45.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.345 171.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.39 132.82 2.12 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.146 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -61.4 -40.28 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.98 0.39 . . . . 0.0 110.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mttp -63.72 -28.72 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.046 0.45 . . . . 0.0 110.698 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.9 -26.54 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.116 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.54 -20.05 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -49.34 -52.48 27.76 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -59.3 -57.35 27.67 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 49.9 Cg_exo -57.3 -43.4 52.73 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.057 1.838 . . . . 0.0 112.487 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.87 -47.85 84.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 58.3 ttp180 -61.3 -42.55 98.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -62.52 -35.58 79.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.019 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -79.22 -56.35 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.941 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.7 p -97.99 -36.99 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.17 -16.6 56.9 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -171.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.92 96.17 48.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 84.5 Cg_endo -82.07 19.17 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 114.627 -169.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -79.54 98.68 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.339 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -129.68 154.93 46.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -176.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.64 134.75 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.057 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 5.1 t -83.57 113.06 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.521 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.009 HD11 ' HE2' ' A' ' 37' ' ' LYS . 18.8 pt -142.57 154.69 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.33 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 67.2 m-20 58.3 34.46 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.602 0.239 . . . . 0.0 110.384 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 5.2 mptp? 73.38 0.64 3.72 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -134.98 162.55 32.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 110.676 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 53.1 t -88.7 116.76 27.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 1.009 ' HE2' HD11 ' A' ' 32' ' ' ILE . 32.7 ttpt -114.72 123.08 48.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 44.4 m -79.7 149.0 31.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.282 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.05 -24.34 47.8 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.66 178.5 52.21 Favored Glycine 0 N--CA 1.439 -1.151 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.447 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.453 177.299 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' CYS . 64.1 mt . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 119.873 -0.108 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.91 84.13 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.164 0.915 . . . . 0.0 112.287 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.639 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 35.5 m 57.99 53.06 7.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.483 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 ' HB3' ' A' ' 15' ' ' ASP . 9.4 t -81.48 17.3 1.42 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.861 0.838 . . . . 0.0 108.774 170.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 96.98 126.08 5.21 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -170.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -59.08 -35.92 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.86 0.83 . . . . 0.0 109.611 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 28.8 mmmt -58.75 -37.36 76.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.834 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.609 ' HB3' HG23 ' A' ' 11' ' ' THR . 11.4 t70 -81.96 -19.96 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.096 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' SG ' HG22 ' A' ' 11' ' ' THR . 70.6 m -88.29 -25.97 22.53 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.719 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 18.6 m-85 -56.94 -55.79 30.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.8 -55.22 47.23 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.27 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 33.9 Cg_exo -60.1 -36.84 87.66 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.235 1.957 . . . . 0.0 112.819 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.3 -44.14 95.66 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -65.14 -43.49 91.68 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.327 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -57.65 -40.75 80.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.12 -53.98 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.8 p -89.2 -36.46 15.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.758 -174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 -21.6 10.12 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 88.5 m -120.61 136.98 25.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -86.86 20.48 1.21 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.989 2.459 . . . . 0.0 113.222 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 19.3 m120 -79.84 80.62 6.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.404 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.29 137.96 54.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.599 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 32.8 mmmt -124.17 147.44 47.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.282 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.05 87.77 5.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.426 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 pt -118.91 144.18 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.173 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 40.88 38.4 0.65 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.731 0.812 . . . . 0.0 112.462 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 34.1 ttpt 58.93 48.45 10.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.939 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 t -150.7 123.67 8.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.457 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 2.0 m -86.2 100.68 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -114.74 153.71 29.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.227 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 72.8 m -107.67 154.39 21.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.893 -174.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.522 ' HE1' ' HG2' ' A' ' 30' ' ' LYS . 70.7 m-85 -84.5 4.39 32.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.86 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 176.04 49.21 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.965 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 21.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.277 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 15' ' ' ASP . 2.8 mm? . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.97 81.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.361 1.038 . . . . 0.0 112.517 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 84.1 m 54.75 36.68 26.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.656 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -83.71 -23.96 31.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.91 131.06 1.27 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.38 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 m -59.9 -38.32 81.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 110.284 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.3 pttm -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.485 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HB3' HD12 ' A' ' 8' ' ' LEU . 12.7 m-20 -83.39 -36.93 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.901 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 72.2 m -62.09 -29.64 70.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 22.1 m-30 -55.73 -33.67 64.46 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.716 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.48 -58.47 8.57 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.7 Cg_exo -59.5 -36.92 92.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.856 1.704 . . . . 0.0 112.038 176.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.5 t -60.27 -46.99 87.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.453 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 5.6 tmm_? -62.37 -43.67 98.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.809 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -64.8 -21.43 66.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.219 0.533 . . . . 0.0 110.798 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -89.53 -66.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 26' ' ' CYS . 13.3 t -103.31 -4.06 24.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 21' ' ' ARG . . . 98.0 -38.86 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.137 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 41' ' ' CYS . 92.7 m -95.15 138.52 21.97 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 87.8 Cg_endo -82.27 -17.54 7.74 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.461 2.108 . . . . 0.0 113.823 -174.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.99 105.48 0.32 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.537 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -146.36 155.45 42.62 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HB2' ' OH ' ' A' ' 39' ' ' TYR . 22.2 ttmm -130.2 137.96 50.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.485 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.7 t -83.95 114.7 21.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.64 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.537 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.8 pp -132.96 143.05 40.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.141 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 54.81 38.72 30.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.247 0.546 . . . . 0.0 109.821 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 62.64 24.91 14.83 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.039 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.9 p -139.1 130.87 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.979 0.418 . . . . 0.0 110.941 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.5 m -77.16 96.25 4.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.849 0.357 . . . . 0.0 110.596 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -94.48 132.78 38.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.19 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 63.0 m -79.05 148.14 32.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.525 ' OH ' ' HB2' ' A' ' 30' ' ' LYS . 59.8 m-85 -78.38 -15.8 58.31 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.5 -178.28 17.05 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.289 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 26' ' ' CYS . 6.3 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.671 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' CYS . 6.7 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 81.41 0.01 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.843 0.714 . . . . 0.0 112.002 -174.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 96.8 m 60.84 44.07 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.141 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -77.73 -27.85 50.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.01 123.41 0.7 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.237 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 m -57.86 -47.3 83.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 52.1 pttt -64.06 -24.28 67.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.108 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.14 -35.22 61.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.414 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 79.8 m -85.49 -18.08 34.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.896 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.1 m-30 -55.23 -44.06 75.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.542 0.21 . . . . 0.0 111.522 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.16 -53.6 46.29 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 77.3 Cg_exo -51.66 -43.34 51.43 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.305 2.003 . . . . 0.0 112.787 174.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 22.5 m -65.5 -39.3 91.72 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.731 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -58.62 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -63.17 -28.79 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.861 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.67 -63.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 p -108.48 -30.12 8.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.31 -47.06 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.9 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 57.4 m -94.93 144.31 27.6 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 122.612 -0.346 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -86.47 22.32 0.96 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.146 2.564 . . . . 0.0 113.017 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.94 108.25 16.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.56 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -148.8 158.22 44.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.985 0.421 . . . . 0.0 111.996 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -146.79 147.42 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 26.4 p -89.35 119.0 29.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.034 0.445 . . . . 0.0 110.895 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.5 mp -100.63 95.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.1 p30 43.15 17.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.884 1.674 . . . . 0.0 115.292 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 169.85 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.02 0.528 . . . . 0.0 110.06 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -112.26 128.78 56.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.195 0.522 . . . . 0.0 111.983 -171.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 92.0 m -75.12 99.26 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.003 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -85.82 126.58 34.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.153 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.39 148.07 32.13 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.184 176.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -79.82 23.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.91 70.64 0.99 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.916 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 36.6 t . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.284 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' CYS . 20.5 tp . . . . . 0 C--O 1.237 0.399 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 82.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.469 -173.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 7.1 t 58.57 44.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.972 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 m -77.56 -21.38 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 109.356 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.9 127.19 0.91 Allowed Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.38 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -61.3 -48.26 82.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 21.6 pttp -62.97 -32.36 73.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 110.508 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.39 -32.25 73.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.691 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 11.5 t -90.61 -20.02 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.143 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.1 m-30 -57.34 -45.79 83.97 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -61.33 -55.32 44.59 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 119.643 -0.217 . . . . 0.0 111.423 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 44.2 Cg_exo -58.75 -36.09 97.63 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.162 1.908 . . . . 0.0 112.523 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 41.9 t -63.75 -47.52 80.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.952 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -68.53 -26.36 65.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.222 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -80.47 -63.28 1.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.424 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -91.1 -31.74 16.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -171.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.96 -19.96 24.7 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -171.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -118.99 135.93 24.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.74 24.04 0.78 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.102 2.534 . . . . 0.0 113.51 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -86.9 96.2 10.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -134.64 165.11 25.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.685 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -156.96 149.38 23.22 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 29.4 p -87.79 113.74 23.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.882 0.372 . . . . 0.0 110.193 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.5 mp -102.62 111.75 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 174.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.0 m120 -19.04 80.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.506 1.754 . . . . 0.0 114.127 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 86.6 tttt 157.31 -52.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.483 1.115 . . . . 0.0 109.01 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 p -157.89 163.36 37.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.031 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 11.9 p -91.25 125.45 36.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -117.64 144.5 45.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 62.1 m -90.78 150.62 21.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.218 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.26 -8.92 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.404 0.621 . . . . 0.0 109.867 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.75 -174.85 23.86 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.266 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.481 178.617 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 mp . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.31 0.1 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 83.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.927 0.767 . . . . 0.0 112.759 -172.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.838 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 4.1 t 61.96 37.91 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.715 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -79.28 -21.52 45.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.619 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.86 135.79 2.58 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.374 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 m -64.86 -42.59 94.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.72 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 68.0 mttm -73.29 -28.87 62.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.123 0.487 . . . . 0.0 109.803 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.51 -32.25 72.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.338 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 77.0 m -80.48 -29.76 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.629 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.9 m-30 -55.72 -41.44 73.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.636 0.255 . . . . 0.0 111.532 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.76 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.22 -58.54 16.88 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.76 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 36.7 Cg_exo -61.89 -33.27 84.68 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.108 1.872 . . . . 0.0 112.253 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 52.4 t -62.53 -43.68 98.21 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.47 -39.13 93.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.174 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.89 -33.48 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.05 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -84.07 -58.9 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.323 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -91.46 -32.06 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -171.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 -20.99 37.55 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.415 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 73.2 m -100.63 138.49 20.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 110.348 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 45.1 Cg_endo -91.32 18.16 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.895 2.397 . . . . 0.0 113.661 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -104.04 118.02 35.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.012 0.435 . . . . 0.0 110.804 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -149.79 174.38 12.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.39 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -148.88 142.72 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.838 ' HB2' ' HA ' ' A' ' 10' ' ' CYS . 22.2 p -99.34 131.29 45.46 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.159 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 pt -113.12 152.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 171.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 29.1 t-20 -67.31 79.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.032 0.444 . . . . 0.0 110.658 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 33' ' ' ASN . 42.0 mttt 169.01 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 125.286 1.434 . . . . 0.0 108.979 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -163.2 166.5 23.24 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.81 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 57.5 m -87.91 118.74 27.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 172.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -105.96 161.84 14.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.758 0.314 . . . . 0.0 110.282 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.0 m -129.63 153.31 48.22 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -87.59 28.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.62 -63.9 4.14 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -165.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.538 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 10' ' ' CYS . 4.2 mm? . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB2' ' HZ3' ' A' ' 34' ' ' LYS . . . -55.68 79.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.244 0.965 . . . . 0.0 111.875 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 t 50.01 52.92 13.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.999 -172.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 6.5 m -78.19 -6.39 54.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.781 0.8 . . . . 0.0 109.393 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.58 130.12 2.35 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.5 -50.68 68.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -59.65 -30.47 68.76 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.62 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.95 -45.88 69.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.274 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 29.3 t -82.43 -19.74 38.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.036 -174.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -53.24 -41.25 65.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.26 -57.05 11.47 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.0 Cg_exo -56.83 -40.05 87.01 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.875 1.717 . . . . 0.0 112.412 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 30.4 t -62.15 -44.35 96.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.906 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.51 -39.89 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.81 -33.41 75.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.211 0.529 . . . . 0.0 110.123 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -73.91 -65.13 0.87 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 26' ' ' CYS . 11.1 t -109.0 0.56 20.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.47 -34.69 4.08 Favored Glycine 0 C--O 1.23 -0.145 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.015 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 28' ' ' ASN . 40.6 t -83.21 124.38 76.26 Favored Pre-proline 0 C--N 1.321 -0.664 0 C-N-CA 122.379 0.271 . . . . 0.0 110.394 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -87.16 13.67 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.908 2.405 . . . . 0.0 112.176 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 33.5 m-80 -103.01 103.3 13.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -177.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -134.49 159.76 40.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.788 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 40.2 mmtm -140.59 155.23 46.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.43 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 10' ' ' CYS . 28.1 p -101.99 100.51 10.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.496 -173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.1 pp -133.98 142.12 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 53.88 44.39 29.54 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HZ3' ' HB3' ' A' ' 34' ' ' LYS . 9.1 mtpm? 55.4 23.66 5.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.57 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -129.97 126.74 38.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.73 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.46 94.81 6.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 172.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -92.23 124.56 36.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -84.69 156.59 21.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.414 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.598 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 7.6 m-30 -78.64 -2.28 38.32 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.068 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.73 41.1 93.93 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.754 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.51 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? . . . . . 0 C--O 1.233 0.184 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.2 82.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.928 0.768 . . . . 0.0 112.193 -173.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LEU . 65.8 m 50.41 49.96 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.794 -176.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -78.0 -33.34 51.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.456 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.8 129.69 1.29 Allowed Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.19 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.2 t -54.56 -41.59 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.509 . . . . 0.0 109.832 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 20.6 ptmt -61.76 -25.3 67.37 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.477 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.897 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -81.29 -30.06 34.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.412 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.9 m-30 -45.34 -62.4 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -60.09 -52.03 76.26 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 75.2 Cg_exo -54.43 -36.35 87.57 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.516 2.144 . . . . 0.0 113.176 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 65.2 m -69.7 -35.59 75.21 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.899 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.1 -42.46 98.56 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.19 -45.57 92.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.017 177.371 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.98 -59.43 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.027 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.971 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 40.9 p -119.86 -15.15 8.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -166.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.16 -29.72 11.5 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.953 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 87.2 m -94.58 125.25 52.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.709 0.29 . . . . 0.0 110.246 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -88.95 17.99 1.54 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.159 2.573 . . . . 0.0 114.671 -171.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -95.93 140.63 30.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.883 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.631 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -160.72 142.83 12.56 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -125.94 148.96 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.9 t -100.99 130.87 47.05 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.191 -172.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.0 mp -99.67 152.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 171.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -63.51 54.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' ILE . 5.7 ptpp? 174.26 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.49 0.716 . . . . 0.0 110.491 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -159.57 138.14 10.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.621 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.3 t -79.62 122.72 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.76 125.36 51.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 -170.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.85 158.02 29.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.992 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.68 12.72 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -169.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.3 136.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.971 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 6.6 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.955 -0.545 . . . . 0.0 109.662 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' CYS . 70.1 mt . . . . . 0 CA--C 1.514 -0.406 0 CA-C-O 120.573 0.225 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.259 0.974 . . . . 0.0 111.743 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 45.5 m 55.73 47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.512 -175.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.64 -4.98 51.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.131 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.78 138.3 4.06 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -65.5 -47.62 75.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.466 0.633 . . . . 0.0 110.097 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.731 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 63.2 pttt -71.06 -23.11 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.394 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.37 -29.09 57.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 109.733 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.92 -22.27 22.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.093 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.731 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.2 m-30 -52.39 -57.1 10.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.23 -54.39 53.37 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 70.2 Cg_exo -54.59 -44.45 49.44 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.362 2.041 . . . . 0.0 112.721 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.89 -41.63 98.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.29 -38.97 92.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.017 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -64.74 -37.57 88.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -74.49 -53.2 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.444 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -125.73 9.12 7.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 -17.52 10.99 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.976 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 47.6 t -84.75 122.43 74.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.587 0.232 . . . . 0.0 110.985 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.06 14.45 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.816 2.344 . . . . 0.0 112.371 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 9.3 m120 -113.11 99.51 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.266 0.555 . . . . 0.0 110.855 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.87 125.38 43.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.657 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -121.67 119.44 31.82 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.72 105.86 14.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.135 0.493 . . . . 0.0 110.157 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.9 pp -121.49 143.83 32.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.728 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 59.24 27.9 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 55.9 mtmt 70.16 24.41 4.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.198 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 m -135.96 132.78 36.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.78 111.62 6.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -109.02 119.18 38.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.41 146.35 24.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.266 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' ASN . 45.1 m-85 -78.5 -7.94 58.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.455 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.78 -45.99 3.57 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.451 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 68.6 m . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.014 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' CYS . 79.4 mt . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.313 0.102 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.19 83.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.985 0.803 . . . . 0.0 112.162 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 36.4 m 59.38 52.23 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.016 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 8' ' ' LEU . 37.0 p -80.87 -3.8 52.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.397 169.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 15' ' ' ASP . . . 117.97 126.94 3.73 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -174.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.9 m -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.208 0.504 . . . . 0.0 110.07 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.68 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 49.1 pttt -64.21 -23.78 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 12' ' ' GLY . 31.5 t70 -74.36 -48.31 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.524 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 73.0 m -59.44 -28.75 67.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.37 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.8 m-30 -51.47 -40.94 60.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.08 -59.64 10.72 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 13.6 Cg_exo -69.84 -26.43 27.21 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.056 1.837 . . . . 0.0 111.33 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.73 -53.15 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 41.7 ttt180 -62.1 -49.05 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -55.28 -38.57 68.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.175 -176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -100.81 -48.95 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 p -84.31 -26.7 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.02 -173.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -23.33 34.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.196 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.55 133.54 21.82 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 120.635 0.255 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 29.8 Cg_endo -90.91 25.13 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.29 2.66 . . . . 0.0 113.476 -175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.79 109.11 19.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.106 0.479 . . . . 0.0 111.412 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.617 ' H ' ' HE1' ' A' ' 17' ' ' TYR . . . -139.47 167.21 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.349 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -160.53 140.61 11.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.2 t -93.11 103.0 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.502 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 37' ' ' LYS . 1.1 pp -118.22 129.52 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 177.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 61.36 34.81 18.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 109.986 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 84.1 mttt 68.23 6.1 5.08 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.647 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -101.84 103.06 13.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.9 t -83.35 95.6 8.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.532 ' HG2' HD11 ' A' ' 32' ' ' ILE . 38.6 pttt -107.38 159.67 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.205 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.8 142.33 34.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.236 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -79.51 -7.09 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.958 0.408 . . . . 0.0 110.847 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.65 -178.48 52.44 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.998 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.35 -179.331 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' A' ' 11' ' ' THR . 16.0 tp . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.607 0.717 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 86.26 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.156 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m 65.3 37.36 6.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.759 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.549 ' HB ' HD12 ' A' ' 8' ' ' LEU . 27.6 m -78.86 -31.45 45.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . 172.88 127.9 1.01 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 p -63.13 -41.47 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.16 0.48 . . . . 0.0 110.969 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.6 ptpt -62.46 -29.45 70.54 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 110.321 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' HB3' HD11 ' A' ' 8' ' ' LEU . 10.7 m-20 -68.96 -46.73 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.785 173.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.16 -33.3 69.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.526 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.2 m-30 -52.77 -40.58 63.29 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.57 -58.54 9.85 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 27.0 Cg_exo -63.35 -31.23 73.19 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.143 1.895 . . . . 0.0 111.921 177.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.7 t -62.63 -47.38 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.053 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.625 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 50.9 ttp180 -65.16 -39.22 92.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.633 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.58 -35.1 76.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.79 -61.87 1.72 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.9 t -107.01 1.11 24.13 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 21' ' ' ARG . . . 87.71 -37.21 3.26 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.621 174.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.1 m -102.77 115.8 63.66 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.625 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 58.6 Cg_endo -80.68 28.13 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.452 2.768 . . . . 0.0 114.077 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.5 HD22 ' HD2' ' A' ' 39' ' ' TYR . 5.7 p-10 -99.48 108.24 20.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.517 0.675 . . . . 0.0 110.518 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -141.46 156.12 45.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.591 -175.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -132.0 128.66 38.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 14.3 p -81.74 142.72 32.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.509 0.671 . . . . 0.0 111.737 -171.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' LYS . 26.7 pt -124.24 158.57 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -65.29 74.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.256 0.551 . . . . 0.0 111.519 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' ILE . 39.8 ttmt 172.5 -47.5 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.56 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.6 m -160.6 168.88 24.04 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 36.0 m -88.25 105.11 17.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.35 109.49 15.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.184 0.516 . . . . 0.0 110.972 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.2 m -81.27 149.23 29.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.339 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.5 ' HD2' HD22 ' A' ' 28' ' ' ASN . 63.9 m-85 -85.17 14.38 5.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.78 -61.09 4.07 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -172.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.182 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 1.1 pt? . . . . . 0 C--O 1.238 0.468 0 CA-C-O 121.307 0.575 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.11 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.0 m 67.83 46.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.686 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -86.43 11.57 12.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.966 0.888 . . . . 0.0 108.947 173.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.18 121.45 3.96 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.236 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -39.29 82.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.304 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 84.8 mttt -75.1 -11.4 60.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.36 -44.64 12.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 75.1 m -61.69 -22.06 65.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.653 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 27' ' ' PRO . 12.1 m-30 -47.61 -40.91 20.65 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 123.205 0.316 . . . . 0.0 111.381 173.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.734 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -69.13 -57.84 6.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.916 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 78.3 Cg_exo -52.83 -45.9 37.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.429 2.086 . . . . 0.0 112.907 176.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 87.8 m -64.0 -43.64 95.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.511 0.196 . . . . 0.0 110.942 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 25.0 ttt180 -61.87 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -65.78 -38.54 89.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.626 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -75.92 -53.95 7.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.999 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.709 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 45.2 p -110.59 -22.46 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.66 -35.72 4.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.811 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 64.1 m -97.72 123.62 51.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 17' ' ' TYR . 74.1 Cg_endo -75.03 -24.02 13.18 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.733 2.289 . . . . 0.0 113.627 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -56.28 123.04 13.25 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.041 0.448 . . . . 0.0 112.127 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.517 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -152.28 169.84 21.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.732 -176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HE3' ' OH ' ' A' ' 39' ' ' TYR . 38.2 ttmt -149.65 138.08 20.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.81 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 3.2 p -88.36 136.34 33.03 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.171 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -118.73 159.03 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.5 m120 -68.4 74.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.397 0.435 . . . . 0.0 111.257 -175.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 28.3 tptp 168.73 -43.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.202 1.001 . . . . 0.0 109.113 -177.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -162.75 160.51 25.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.1 t -91.53 110.51 21.83 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -103.85 133.79 48.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 111.105 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.2 m -79.9 162.88 24.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.4 ' OH ' ' HE3' ' A' ' 30' ' ' LYS . 30.0 m-85 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.706 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.34 143.02 13.87 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.049 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 34.9 t . . . . . 0 C--O 1.249 1.029 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.9 mp . . . . . 0 C--O 1.234 0.238 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 82.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.885 0.741 . . . . 0.0 111.58 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.8 m 57.77 47.31 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.887 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -80.21 -14.58 58.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.292 173.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.15 125.08 1.48 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.384 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 m -57.41 -40.29 77.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.26 0.53 . . . . 0.0 110.96 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 17' ' ' TYR . 67.8 mttm -76.4 -15.59 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.742 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.96 -29.25 43.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 59.9 m -79.39 -21.33 45.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.021 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 14' ' ' LYS . 3.8 m-30 -45.01 -55.03 5.92 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.565 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.74 -56.66 30.43 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.297 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 66.4 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.248 1.966 . . . . 0.0 112.928 177.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.8 m -66.1 -37.34 85.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.287 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -68.57 -39.88 80.81 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.76 -45.5 82.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.045 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.66 -54.61 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.423 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -90.8 -39.87 12.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.37 -16.8 24.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.411 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.3 m -112.8 137.73 21.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.691 0.282 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -82.9 17.83 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.984 2.456 . . . . 0.0 113.387 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -79.6 100.63 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.776 0.322 . . . . 0.0 110.202 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.6 154.85 45.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.428 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -151.14 156.45 41.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.595 ' CB ' ' HA ' ' A' ' 10' ' ' CYS . 16.2 p -96.27 147.98 23.22 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.159 -177.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -122.86 165.23 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -69.54 61.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -171.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 177.21 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.679 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -161.41 178.79 8.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.094 0.474 . . . . 0.0 111.331 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 58.3 m -91.97 136.55 33.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 175.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -111.43 143.46 42.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.3 m -104.38 144.42 31.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.428 ' N ' ' HD1' ' A' ' 39' ' ' TYR . 1.3 m-30 -79.21 -18.61 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.411 0.624 . . . . 0.0 109.872 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.92 -164.37 12.35 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.255 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.751 -179.698 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.45 HD12 ' HB ' ' A' ' 11' ' ' THR . 3.0 mm? . . . . . 0 C--O 1.235 0.317 0 CA-C-O 119.985 -0.055 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.37 82.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.05 0.844 . . . . 0.0 111.472 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.7 m 54.5 47.49 22.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.837 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.45 ' HB ' HD12 ' A' ' 8' ' ' LEU . 14.8 m -86.19 -13.52 46.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.265 173.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.01 124.03 1.84 Allowed Glycine 0 N--CA 1.44 -1.05 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.539 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -56.2 -46.26 79.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.608 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.1 ptpt -62.67 -26.33 68.59 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.202 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.67 -43.7 46.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.342 0.591 . . . . 0.0 109.703 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.6 t -81.68 -8.84 59.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.937 -175.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.608 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 7.6 m-30 -44.36 -53.67 6.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.578 0.227 . . . . 0.0 111.531 173.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.49 -57.12 24.25 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 59.6 Cg_exo -53.89 -45.99 36.95 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.318 2.012 . . . . 0.0 112.776 178.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.21 -46.88 88.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.358 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 21' ' ' ARG . 31.3 ttt180 -64.75 -40.14 94.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.898 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -64.7 -39.23 93.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.628 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.87 -55.25 5.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -92.61 -40.43 10.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.927 0.394 . . . . 0.0 111.956 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.63 -17.64 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.443 -172.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 44.5 t -86.34 127.05 62.68 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.662 0.267 . . . . 0.0 110.916 -178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.76 10.64 3.61 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.848 2.365 . . . . 0.0 112.817 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -116.52 111.57 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.052 0.453 . . . . 0.0 110.72 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.18 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -133.93 129.62 36.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.38 120.47 26.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.234 0.54 . . . . 0.0 111.184 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.528 HD11 ' HG3' ' A' ' 37' ' ' LYS . 40.5 pt -132.16 140.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.266 176.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 35' ' ' SER . 16.8 m120 49.26 49.66 19.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.43 0.456 . . . . 0.0 110.274 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.671 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 32.2 mtmm 70.99 -28.65 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.126 0.97 . . . . 0.0 112.265 -176.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 33' ' ' ASN . 33.0 t -81.67 124.63 29.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.862 0.363 . . . . 0.0 111.675 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.73 100.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 168.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.528 ' HG3' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -95.25 124.29 39.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 0.0 110.648 -175.151 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.9 m -89.28 144.75 25.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.155 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -79.25 1.13 25.87 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.51 92.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.934 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 26.5 m . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.21 -173.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.0 mp . . . . . 0 C--O 1.236 0.377 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.07 83.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.183 -174.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.8 m 57.04 49.58 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.633 -176.659 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -78.01 -10.07 59.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.671 171.152 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.18 131.94 3.71 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.9 176.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 p -62.6 -42.05 99.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.509 0.655 . . . . 0.0 109.6 178.25 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.8 ptmm? -52.14 -36.0 50.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.085 173.556 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.01 -40.58 24.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.623 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.574 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 98.8 m -62.3 -28.09 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.627 178.458 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.8 m-30 -57.54 -33.79 68.46 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.559 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.42 -61.45 5.94 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.248 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 3.8 Cg_exo -73.93 -26.43 13.2 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.059 1.84 . . . . 0.0 110.614 -177.093 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.625 ' O ' HG22 ' A' ' 24' ' ' THR . 36.4 t -61.42 -57.58 11.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.05 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' ' 21' ' ' ARG . 2.7 tmt_? -59.39 -42.92 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.96 -33.84 75.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.592 -178.191 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 -60.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.773 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' CYS . 14.9 t -93.23 -5.07 50.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.964 -170.801 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.25 -43.25 2.14 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.435 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 33.6 m -103.9 133.29 20.34 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.071 0.462 . . . . 0.0 111.127 -178.106 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -84.96 35.99 0.55 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.762 2.974 . . . . 0.0 113.182 -178.172 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -107.14 101.34 10.75 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.115 0.483 . . . . 0.0 110.707 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.56 151.8 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.47 -179.084 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -145.07 137.86 26.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 p -94.43 119.44 33.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.607 0.717 . . . . 0.0 110.091 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.41 131.04 57.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.84 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.71 36.23 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.018 0.437 . . . . 0.0 110.049 -177.192 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 67.4 12.51 8.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.902 -178.31 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.6 t -110.31 110.69 21.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.0 t -82.66 95.55 7.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -99.75 126.23 45.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.194 -172.139 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.1 m -79.76 145.3 32.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.533 172.109 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.94 9.78 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.069 0.461 . . . . 0.0 110.425 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 81.93 -148.27 27.05 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.5 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.324 178.778 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' CYS . 5.3 mp . . . . . 0 C--O 1.235 0.29 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.38 85.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.742 0.651 . . . . 0.0 111.468 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 20.9 m 54.78 47.03 23.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.97 -175.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -78.48 -8.24 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 170.344 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.55 119.38 1.95 Allowed Glycine 0 N--CA 1.434 -1.435 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.8 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -60.8 -34.54 74.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 66.7 mttm -56.26 -40.13 73.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.419 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.05 -48.98 55.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.683 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 76.3 m -67.93 -18.18 64.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.688 -174.526 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.2 m-85 -52.35 -46.47 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.598 0.237 . . . . 0.0 111.05 176.149 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.06 -58.15 15.57 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.226 -176.031 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.3 Cg_exo -60.32 -38.91 71.82 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.75 . . . . 0.0 112.423 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' O ' HG22 ' A' ' 24' ' ' THR . 47.0 t -65.63 -47.03 76.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.346 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -63.38 -41.96 98.81 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -65.66 -33.83 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.534 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.59 -61.52 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 20' ' ' CYS . 14.8 t -95.74 -30.27 13.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 -171.069 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.89 -41.54 1.64 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.676 -177.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 61.0 m -105.82 139.45 20.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.755 -0.262 . . . . 0.0 110.686 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -83.47 26.47 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.252 2.634 . . . . 0.0 113.042 -177.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -76.45 78.52 3.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.16 130.86 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -125.24 129.18 49.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.132 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -79.45 120.88 24.48 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.68 0.752 . . . . 0.0 110.341 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 35' ' ' SER . 24.9 pt -103.44 163.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 170.182 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -45.23 -35.88 3.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -170.59 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -100.12 -25.87 14.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.241 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' HG12 ' A' ' 32' ' ' ILE . 25.1 m -159.07 165.09 34.69 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.72 -0.612 . . . . 0.0 111.955 -168.273 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.7 m -91.16 105.43 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 169.192 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -92.04 117.09 29.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.156 -173.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.5 m -85.43 143.46 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.707 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.53 1.02 23.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.707 0.289 . . . . 0.0 111.67 -174.614 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.28 105.14 0.19 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.191 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 38.8 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.863 -177.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 8' ' ' LEU . 5.3 mp . . . . . 0 CA--C 1.508 -0.665 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 34' ' ' LYS . . . -61.73 77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.558 -175.229 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 36.2 m 61.02 50.62 4.94 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.797 -171.266 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -78.85 -16.09 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.149 172.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.16 139.32 4.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.0 -179.033 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 p -62.55 -49.93 73.34 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.535 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.638 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 29.5 mmtp -61.43 -40.5 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.805 178.63 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.2 -33.33 75.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.025 -178.268 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.86 -20.69 23.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.891 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.638 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 11.3 m-85 -50.06 -50.29 48.44 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.753 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.08 -57.75 21.78 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.155 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 36.5 Cg_exo -60.49 -40.31 58.18 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.171 1.914 . . . . 0.0 112.673 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.02 -44.79 94.37 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.656 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 60.2 ttt180 -66.9 -38.83 87.01 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.467 177.537 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.648 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -86.65 -58.15 2.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.57 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -95.22 -30.99 13.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -173.076 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.93 -8.96 50.8 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -171.106 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.1 t -91.16 116.54 66.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.724 0.297 . . . . 0.0 110.213 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 87.6 Cg_endo -85.39 12.74 2.97 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.781 2.321 . . . . 0.0 113.282 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -120.68 118.56 30.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 0.0 110.493 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.555 ' HB1' ' SG ' ' A' ' 36' ' ' CYS . . . -145.32 156.27 43.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.571 -178.584 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 61.9 tttm -150.59 139.39 20.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.273 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -88.11 132.77 34.19 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.982 -176.751 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 pt -137.86 139.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.537 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 47.26 40.83 11.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.656 0.382 . . . . 0.0 111.803 -178.355 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.644 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 28.3 mtpp 54.89 47.27 22.63 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.019 -174.478 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -151.78 125.6 9.07 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 170.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.555 ' SG ' ' HB1' ' A' ' 29' ' ' ALA . 49.4 t -76.39 113.03 13.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.461 -178.057 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 30' ' ' LYS . 13.1 ptmm? -89.59 135.68 33.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m -104.12 145.76 29.72 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -78.09 0.37 24.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.74 -172.462 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.65 39.86 93.98 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.796 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.469 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 80.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.236 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.509 -0.613 0 CA-C-O 121.496 0.665 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 34' ' ' LYS . . . -60.69 82.92 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.279 -172.681 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 12' ' ' GLY . 92.3 m 60.86 51.35 4.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.289 -175.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -79.79 21.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.281 0.562 . . . . 0.0 110.782 174.52 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 100.64 130.67 7.11 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -173.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -59.35 -45.73 90.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.023 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.6 pttp -63.92 -14.86 56.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -86.7 -57.07 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.853 0.358 . . . . 0.0 110.044 175.286 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t -69.09 -15.9 63.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.238 -170.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.6 m-85 -50.75 -43.66 58.25 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.543 173.146 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.02 -58.62 8.94 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.776 -176.005 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 49.5 Cg_exo -57.47 -37.77 96.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 122.03 1.82 . . . . 0.0 112.669 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.3 t -62.79 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.44 -37.74 87.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 175.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 18' ' ' ALA . 8.6 mtpm? -62.73 -38.59 91.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.28 178.031 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 19' ' ' PRO . 76.2 mt-30 -82.34 -52.58 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.805 -177.003 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.899 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 80.7 p -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.744 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 -14.88 50.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.591 -173.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.92 129.21 25.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -82.64 19.89 1.22 Allowed 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.995 2.463 . . . . 0.0 113.09 -176.247 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -89.77 91.6 8.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.958 0.408 . . . . 0.0 111.005 -178.176 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.35 166.26 18.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 31' ' ' CYS . 49.4 tttm -159.53 161.04 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.624 177.169 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.8 t -96.94 118.36 33.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.823 179.181 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 pt -140.9 140.98 32.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.178 172.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 52.3 42.6 31.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.254 177.167 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 59.7 mttp 54.38 36.93 26.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.996 -177.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -148.42 148.73 30.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.9 t -90.71 128.22 36.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.803 0.335 . . . . 0.0 110.127 178.156 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -119.65 153.6 35.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.217 178.099 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.05 150.51 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -78.94 2.63 19.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 111.671 -175.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.48 130.65 6.76 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.247 177.775 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.899 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 22.7 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -179.289 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.3 pp . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.628 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.65 83.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.627 -175.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 1.3 m 53.22 58.35 5.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.713 -172.542 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 15' ' ' ASP . 8.8 t -78.04 6.26 8.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.31 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.61 137.03 8.99 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 p -55.68 -46.22 77.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.191 0.495 . . . . 0.0 111.202 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.1 ptpp? -64.74 -21.18 66.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -178.494 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.606 ' HB3' HG23 ' A' ' 11' ' ' THR . 13.7 t70 -88.71 -40.36 13.31 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 84.4 m -60.14 -26.82 66.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 20.6 m-30 -53.67 -37.01 62.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.57 176.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.91 -57.95 8.77 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.9 -177.055 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 66.2 Cg_exo -54.35 -44.34 50.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.236 1.958 . . . . 0.0 112.3 175.49 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -59.24 -44.51 92.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.541 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 63.1 ttt180 -65.0 -42.92 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.451 178.709 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.49 -22.22 64.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -97.45 -52.71 3.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -91.18 -31.52 16.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.849 0.357 . . . . 0.0 111.71 -174.276 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 -9.79 57.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.426 -171.605 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.0 m -114.9 130.24 24.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.27 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 27.6 Cg_endo -89.41 28.14 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.375 2.716 . . . . 0.0 114.227 -172.633 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' ND2' ' HB2' ' A' ' 39' ' ' TYR . 19.5 p-10 -112.89 108.95 18.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.565 0.698 . . . . 0.0 112.024 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -143.64 162.24 36.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.296 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -140.97 130.17 23.51 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.536 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -82.79 115.31 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.987 -178.697 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 pt -132.83 141.26 45.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.713 176.258 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 54.77 34.71 22.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.477 0.485 . . . . 0.0 110.012 -174.551 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 56.8 mtpt 64.78 14.87 9.46 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.044 -178.53 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 14.4 m -116.34 131.31 56.98 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.587 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 67.7 m -75.12 84.11 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 109.954 177.29 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 122.77 29.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.959 -175.875 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 78.1 m -78.87 153.01 30.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 -177.136 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.465 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 96.9 m-85 -79.41 -2.5 42.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.434 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 141.45 10.91 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.841 178.816 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.31 -179.196 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.438 ' HA ' ' HA ' ' A' ' 23' ' ' GLN . 5.6 m-90 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.642 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 26.6 p -90.26 128.31 36.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.865 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 p -84.08 -29.8 26.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.195 0.522 . . . . 0.0 110.499 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -85.79 52.11 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.35 0.595 . . . . 0.0 110.4 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.835 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 81.5 m -137.28 99.03 3.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.668 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.6 tp -109.49 -71.25 0.77 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.34 97.91 2.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.707 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' ' 5' ' ' CYS . 5.9 mp -101.68 43.95 1.04 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.541 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 83.68 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.952 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.5 m 60.53 47.79 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.534 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -78.99 -13.97 59.48 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 123.77 1.93 Allowed Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.582 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.0 m -60.25 -44.26 95.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.273 0.537 . . . . 0.0 109.974 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 98.1 mttt -64.44 -26.6 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.36 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.14 -41.62 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -77.34 -15.05 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.063 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.4 m-30 -52.38 -46.78 66.37 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.608 0.242 . . . . 0.0 111.458 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.676 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.21 -55.06 22.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.575 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.835 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 79.9 Cg_exo -50.2 -46.42 28.7 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.592 2.195 . . . . 0.0 112.975 174.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.93 -41.37 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 38.9 ttm180 -59.29 -45.94 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.272 0.558 . . . . 0.0 110.167 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.642 ' HD3' ' HA ' ' A' ' 2' ' ' CYS . 48.4 tttp -73.54 -17.51 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.311 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 1' ' ' TRP . 0.5 OUTLIER -90.02 -55.64 3.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.828 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.563 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 73.0 p -102.35 -28.75 12.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 -16.69 29.9 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 90.5 m -117.58 123.12 30.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.685 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 45.6 Cg_endo -83.72 27.67 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.301 2.667 . . . . 0.0 113.738 -174.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -106.23 108.36 19.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.42 163.88 35.81 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.728 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -144.89 143.09 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 23.0 p -84.07 109.23 17.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.607 HD11 ' HE2' ' A' ' 37' ' ' LYS . 15.2 pt -144.26 155.66 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 10.0 t30 63.8 21.91 12.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.134 0.969 . . . . 0.0 109.641 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 66.39 28.92 9.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.921 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -151.41 150.53 30.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 98.3 m -81.89 94.29 7.07 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.904 -0.498 . . . . 0.0 110.315 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.607 ' HE2' HD11 ' A' ' 32' ' ' ILE . 31.7 ttpt -83.24 134.18 34.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.203 -176.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.3 m -90.31 148.11 23.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.796 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -82.72 20.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.71 0.29 . . . . 0.0 111.374 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.12 152.42 22.51 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.465 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 37.5 t . . . . . 0 C--O 1.248 0.975 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.883 ' HA ' ' HA ' ' A' ' 23' ' ' GLN . 10.9 m95 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 23' ' ' GLN . 18.1 p -91.32 101.39 14.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.244 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -67.67 -25.35 65.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.721 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -82.89 6.82 17.2 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.506 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 21.4 m -80.82 72.14 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.17 0.51 . . . . 0.0 111.232 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.64 -65.84 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.803 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -150.01 122.6 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.627 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 mm? -128.05 25.68 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -53.9 81.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.176 0.922 . . . . 0.0 112.746 -171.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.1 m 52.66 45.06 29.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.189 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -78.96 -13.03 60.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.851 0.834 . . . . 0.0 108.837 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.13 134.99 2.89 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.432 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -64.92 -39.3 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 0.0 110.373 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 48.1 mmtm -58.22 -38.83 77.59 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.338 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.75 -44.59 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.762 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.25 -32.6 71.3 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.606 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 19.9 m-85 -51.1 -48.22 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -63.49 -58.09 17.0 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -176.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 65.9 Cg_exo -53.66 -44.68 47.02 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.337 2.025 . . . . 0.0 112.735 177.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.9 t -61.09 -46.36 90.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.689 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 47.2 ttt180 -61.9 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.12 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -65.43 -27.25 68.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.736 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.883 ' HA ' ' HA ' ' A' ' 1' ' ' TRP . 61.5 tt0 -80.7 -65.89 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.419 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.5 p -86.0 -32.17 21.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.515 -172.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.07 -21.13 10.36 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB3' ' ND2' ' A' ' 28' ' ' ASN . 84.4 m -123.41 139.64 32.34 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.585 0.231 . . . . 0.0 110.436 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 61.4 Cg_endo -89.41 16.68 1.73 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.058 2.506 . . . . 0.0 114.646 -172.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 26' ' ' CYS . 3.3 p30 -81.64 91.77 6.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.465 0.65 . . . . 0.0 111.172 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.624 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -137.85 151.33 47.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.659 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -149.24 145.66 27.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 16.2 p -92.01 108.14 19.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.354 0.597 . . . . 0.0 110.449 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.94 118.32 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.504 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.8 t30 56.4 47.9 18.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.683 0.614 . . . . 0.0 109.405 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 33.5 mmtp 73.25 -15.07 0.56 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.278 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.9 m -86.72 104.75 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.109 -0.37 . . . . 0.0 110.878 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 49.5 t -64.27 108.12 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.53 129.9 53.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 110.574 -173.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -88.12 146.47 25.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.511 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -79.53 -16.01 56.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.25 0.548 . . . . 0.0 110.014 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.13 -140.69 11.95 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.895 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.361 179.084 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.857 0.361 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.0 p -90.03 125.5 35.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.177 0.513 . . . . 0.0 110.947 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -74.6 -11.89 60.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 p -108.61 -95.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.9 m 47.65 65.77 1.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.362 0.601 . . . . 0.0 111.731 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -110.89 -171.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.245 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -82.47 66.43 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.565 0.697 . . . . 0.0 111.134 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD12 HG21 ' A' ' 11' ' ' THR . 1.9 mm? -89.76 31.3 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.17 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.772 0.67 . . . . 0.0 111.747 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.7 m 57.59 45.61 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.98 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 8' ' ' LEU . 15.4 t -79.1 -15.07 58.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 109.132 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.62 134.9 2.66 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.178 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.2 m -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.9 0.35 . . . . 0.0 110.729 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.3 ptpt -65.38 -21.29 66.66 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.935 0.397 . . . . 0.0 110.565 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.05 -52.61 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -64.52 -17.01 63.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.471 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.682 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -53.38 -41.3 65.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.85 -56.74 13.2 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.974 -176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.9 Cg_exo -56.01 -37.86 95.57 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 121.941 1.76 . . . . 0.0 112.052 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 48.0 t -63.44 -41.66 98.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.448 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 21' ' ' ARG . 26.2 ttm-85 -62.51 -40.87 98.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.936 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -61.74 -39.02 90.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.171 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.98 -55.75 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.093 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 p -99.47 -29.16 12.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -172.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.42 -19.67 31.27 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.227 -172.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.04 128.46 25.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.828 0.347 . . . . 0.0 110.097 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.29 22.49 0.81 Allowed 'Trans proline' 0 CA--C 1.527 0.134 0 C-N-CA 122.957 2.438 . . . . 0.0 113.699 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.64 93.41 9.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.21 0.529 . . . . 0.0 110.646 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -125.43 149.39 48.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.18 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.58 129.43 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 7.9 t -85.34 111.52 19.98 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.385 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 35' ' ' SER . 13.9 pt -81.33 -178.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 166.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -53.77 97.96 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.875 0.845 . . . . 0.0 112.194 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 68.74 28.28 5.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.541 -1.208 . . . . 0.0 112.329 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.5 m -154.92 112.57 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 111.783 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 90.5 m -78.61 93.4 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.217 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -89.0 141.92 28.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 -175.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.8 m -93.05 146.41 23.66 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.88 -15.7 58.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.978 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.53 -178.29 18.42 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.202 -179.018 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 121.463 0.649 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.0 t -90.41 87.33 6.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -27.22 69.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.512 ' O ' HD13 ' A' ' 8' ' ' LEU . 7.5 p -79.18 -14.45 59.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 111.409 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m -82.02 3.73 25.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.6 tp -79.65 -28.68 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.739 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -108.65 24.58 12.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.067 0.461 . . . . 0.0 110.63 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 4' ' ' THR . 6.8 mp -115.32 35.82 4.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.595 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.34 83.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.858 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.47 51.67 3.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.988 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -78.68 0.29 27.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.712 171.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.28 137.45 7.33 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.271 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -57.45 -42.97 83.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.923 0.362 . . . . 0.0 110.195 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -62.56 -22.89 66.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.64 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.26 -44.68 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.56 -16.77 63.48 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.383 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.9 m-30 -50.93 -46.31 60.85 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -61.97 -58.78 15.78 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.8 Cg_exo -57.37 -43.13 54.79 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.099 1.866 . . . . 0.0 112.649 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.83 -46.87 83.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.337 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.782 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 78.5 ttt180 -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.6 -36.07 82.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.346 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.77 -53.02 5.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 p -93.26 -28.42 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -171.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -12.2 56.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.504 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.36 115.35 25.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.782 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 65.6 Cg_endo -74.69 -20.46 17.62 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.826 2.351 . . . . 0.0 114.32 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.73 103.96 0.19 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.0 112.39 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.19 160.23 42.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.598 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -144.36 143.39 30.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.8 p -87.43 107.11 18.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.773 0.797 . . . . 0.0 110.741 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.971 HD11 ' HD3' ' A' ' 37' ' ' LYS . 22.2 pt -118.04 143.67 28.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.343 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 54.75 36.68 26.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.773 -170.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 59.42 28.67 18.09 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.852 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -139.28 123.95 18.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 84.5 m -72.23 104.02 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.087 0.47 . . . . 0.0 111.059 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.971 ' HD3' HD11 ' A' ' 32' ' ' ILE . 45.8 mtpt -94.07 132.88 38.13 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.13 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -93.07 149.36 21.28 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.806 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -86.72 16.19 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 0.0 110.329 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 -112.5 4.36 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -172.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.685 . . . . 0.0 109.816 174.124 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 97.4 m95 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.068 0.461 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 38.6 t -82.43 130.0 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -80.22 -64.19 1.24 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.713 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 m -150.66 37.46 0.66 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.735 0.779 . . . . 0.0 109.688 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . 25.4 p -83.61 -2.85 56.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.367 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.55 -39.87 30.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -100.62 27.0 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -115.5 33.13 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.749 -172.249 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.67 79.43 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.691 0.619 . . . . 0.0 111.158 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.4 t 48.55 48.21 19.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.739 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.405 ' HB ' HD13 ' A' ' 8' ' ' LEU . 4.3 m -89.5 32.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.123 0.964 . . . . 0.0 109.146 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.28 107.01 3.15 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.744 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.8 m -57.5 -30.59 65.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 60.6 mttm -56.33 -34.45 66.57 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.081 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' HD11 ' A' ' 8' ' ' LEU . 7.9 t0 -77.28 -49.18 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 15.9 t -68.12 -10.15 51.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.075 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 13.5 m-30 -52.27 -42.75 63.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.684 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.28 -56.12 21.61 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.911 -177.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.0 Cg_exo -54.67 -44.14 52.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.236 1.958 . . . . 0.0 112.65 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.8 -46.0 91.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.699 0.285 . . . . 0.0 110.386 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -60.44 -44.08 96.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.685 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.33 -29.65 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -82.79 -62.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -87.92 -29.75 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.939 0.399 . . . . 0.0 111.445 -173.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.17 -8.92 38.88 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.618 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.8 m -131.51 135.15 26.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.612 0.244 . . . . 0.0 110.48 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.92 26.59 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.585 2.856 . . . . 0.0 113.961 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 2.9 m-20 -83.19 93.07 7.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.13 145.27 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 111.823 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -148.86 135.12 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.179 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 11.8 p -83.51 123.6 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.36 0.6 . . . . 0.0 111.198 -175.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.4 pp -140.42 144.53 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 55.51 44.81 26.24 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.15 32.2 1.38 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.613 1.165 . . . . 0.0 112.387 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -139.76 132.86 29.6 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.7 p -79.92 104.51 10.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.423 0.63 . . . . 0.0 110.417 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HB3' ' HE2' ' A' ' 37' ' ' LYS . 35.3 ttpt -90.68 136.05 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.95 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 80.2 m -91.26 147.27 23.17 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -79.62 22.51 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.57 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -170.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.529 173.755 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.6 m95 . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 p -89.5 113.97 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.732 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -74.82 -16.35 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.685 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' HD21 ' A' ' 8' ' ' LEU . 11.6 p -84.01 -4.38 58.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.635 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.3 m -91.42 76.99 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.331 . . . . 0.0 110.957 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.4 pt? -123.57 -42.46 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.462 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' HD22 ' A' ' 8' ' ' LEU . 9.3 t70 -145.97 82.99 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 -177.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? -128.73 29.94 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.81 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -56.44 81.06 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.206 0.941 . . . . 0.0 112.598 -169.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 83.9 m 55.67 44.72 25.97 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.315 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -14.65 59.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.772 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.55 134.15 2.66 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.471 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.566 ' O ' ' HD1' ' A' ' 17' ' ' TYR . 30.4 m -60.04 -45.22 93.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' TYR . 21.5 pttp -54.81 -31.07 58.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.334 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.12 -47.34 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.092 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.06 -16.66 64.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.163 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.7 m-85 -53.33 -40.93 65.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.031 173.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.52 -58.17 12.58 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.865 -175.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 33.5 Cg_exo -59.85 -43.67 35.9 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.974 1.783 . . . . 0.0 112.481 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.17 -47.58 85.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.693 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 40.7 ttp-105 -68.84 -38.08 79.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.33 -28.73 68.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.394 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.812 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 57.1 p -83.04 -41.29 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 112.009 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.61 -19.51 11.4 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -169.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -106.91 127.26 28.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 70.5 Cg_endo -87.92 12.51 2.85 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.892 2.395 . . . . 0.0 112.841 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.5 95.35 3.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.43 148.66 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.111 0.481 . . . . 0.0 111.911 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -140.97 129.53 22.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.826 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 19.8 t -83.26 120.39 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.237 -176.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 32' ' ' ILE . 26.2 pt -133.16 138.06 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.632 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.67 40.13 30.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 6.1 mptp? 63.06 23.47 13.99 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -140.01 119.34 12.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.169 0.509 . . . . 0.0 110.306 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 71.9 m -72.29 111.07 7.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.755 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -95.76 162.74 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.6 m -110.04 152.12 26.33 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.43 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -80.0 26.92 0.32 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.651 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 126.07 0.27 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.359 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.812 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 21.3 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.509 -0.757 . . . . 0.0 109.121 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.429 ' CD1' ' HG3' ' A' ' 23' ' ' GLN . 15.8 t-105 . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.701 0.286 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.3 p -84.94 114.72 22.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.991 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -77.63 44.76 0.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.556 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 ' H ' ' H ' ' A' ' 5' ' ' CYS . 8.7 m -148.04 -21.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.241 0.543 . . . . 0.0 110.133 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.502 ' HA ' HD13 ' A' ' 8' ' ' LEU . 13.5 m -82.12 71.43 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.223 -174.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -99.19 -55.09 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.95 92.54 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.636 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 5' ' ' CYS . 6.0 mp -128.33 27.81 5.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.69 83.34 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.099 0.875 . . . . 0.0 111.116 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LEU . 16.5 m 59.11 48.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.961 -174.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 20.5 p -78.57 -28.86 45.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.345 171.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.39 132.82 2.12 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.146 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -61.4 -40.28 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.98 0.39 . . . . 0.0 110.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mttp -63.72 -28.72 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.046 0.45 . . . . 0.0 110.698 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.9 -26.54 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.116 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.54 -20.05 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -49.34 -52.48 27.76 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -59.3 -57.35 27.67 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 49.9 Cg_exo -57.3 -43.4 52.73 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.057 1.838 . . . . 0.0 112.487 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.87 -47.85 84.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 58.3 ttp180 -61.3 -42.55 98.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -62.52 -35.58 79.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.019 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 1' ' ' TRP . 55.8 tt0 -79.22 -56.35 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.941 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.7 p -97.99 -36.99 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.17 -16.6 56.9 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -171.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.92 96.17 48.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 84.5 Cg_endo -82.07 19.17 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 114.627 -169.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -79.54 98.68 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.339 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -129.68 154.93 46.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -176.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.64 134.75 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.057 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 5.1 t -83.57 113.06 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.521 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.009 HD11 ' HE2' ' A' ' 37' ' ' LYS . 18.8 pt -142.57 154.69 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.33 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 67.2 m-20 58.3 34.46 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.602 0.239 . . . . 0.0 110.384 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 5.2 mptp? 73.38 0.64 3.72 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -134.98 162.55 32.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 110.676 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 53.1 t -88.7 116.76 27.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 1.009 ' HE2' HD11 ' A' ' 32' ' ' ILE . 32.7 ttpt -114.72 123.08 48.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 44.4 m -79.7 149.0 31.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.282 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.05 -24.34 47.8 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.66 178.5 52.21 Favored Glycine 0 N--CA 1.439 -1.151 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.447 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.453 177.299 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 t -90.03 125.7 35.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -64.31 -35.46 80.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -86.89 -24.97 24.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.603 0.716 . . . . 0.0 110.271 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 3.2 m -96.68 65.48 2.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.745 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.73 -64.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.38 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -129.87 115.3 17.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' CYS . 64.1 mt -116.13 28.23 8.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 -173.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.91 84.13 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.164 0.915 . . . . 0.0 112.287 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.639 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 35.5 m 57.99 53.06 7.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.483 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 ' HB3' ' A' ' 15' ' ' ASP . 9.4 t -81.48 17.3 1.42 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.861 0.838 . . . . 0.0 108.774 170.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 96.98 126.08 5.21 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -170.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -59.08 -35.92 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.86 0.83 . . . . 0.0 109.611 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 28.8 mmmt -58.75 -37.36 76.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.834 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.609 ' HB3' HG23 ' A' ' 11' ' ' THR . 11.4 t70 -81.96 -19.96 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.096 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' SG ' HG22 ' A' ' 11' ' ' THR . 70.6 m -88.29 -25.97 22.53 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.719 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 18.6 m-85 -56.94 -55.79 30.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.8 -55.22 47.23 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.27 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 33.9 Cg_exo -60.1 -36.84 87.66 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.235 1.957 . . . . 0.0 112.819 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.3 -44.14 95.66 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -65.14 -43.49 91.68 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.327 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -57.65 -40.75 80.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.12 -53.98 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.8 p -89.2 -36.46 15.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.758 -174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 -21.6 10.12 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 88.5 m -120.61 136.98 25.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -86.86 20.48 1.21 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.989 2.459 . . . . 0.0 113.222 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 19.3 m120 -79.84 80.62 6.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.404 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.29 137.96 54.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.599 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 32.8 mmmt -124.17 147.44 47.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.282 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.05 87.77 5.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.426 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 pt -118.91 144.18 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.173 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 40.88 38.4 0.65 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.731 0.812 . . . . 0.0 112.462 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 34.1 ttpt 58.93 48.45 10.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.939 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 t -150.7 123.67 8.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.457 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 2.0 m -86.2 100.68 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -114.74 153.71 29.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.227 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 72.8 m -107.67 154.39 21.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.893 -174.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.522 ' HE1' ' HG2' ' A' ' 30' ' ' LYS . 70.7 m-85 -84.5 4.39 32.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.86 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 176.04 49.21 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.965 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 21.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.277 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.403 ' HA ' ' CG ' ' A' ' 23' ' ' GLN . 54.6 m95 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.937 0.399 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.1 t -90.62 112.44 24.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -82.85 -55.84 4.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.294 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.4 m -149.98 39.76 0.78 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.855 0.836 . . . . 0.0 110.222 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.6 63.22 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.036 176.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.2 55.72 3.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.233 -172.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -84.16 -12.21 55.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.705 0.764 . . . . 0.0 109.855 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 15' ' ' ASP . 2.8 mm? -98.4 25.29 6.43 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.97 81.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.361 1.038 . . . . 0.0 112.517 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 84.1 m 54.75 36.68 26.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.656 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -83.71 -23.96 31.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.91 131.06 1.27 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.38 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 m -59.9 -38.32 81.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 110.284 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.3 pttm -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.485 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HB3' HD12 ' A' ' 8' ' ' LEU . 12.7 m-20 -83.39 -36.93 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.901 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 72.2 m -62.09 -29.64 70.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 22.1 m-30 -55.73 -33.67 64.46 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.716 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.48 -58.47 8.57 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.7 Cg_exo -59.5 -36.92 92.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.856 1.704 . . . . 0.0 112.038 176.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.5 t -60.27 -46.99 87.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.453 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 5.6 tmm_? -62.37 -43.67 98.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.809 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -64.8 -21.43 66.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.219 0.533 . . . . 0.0 110.798 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.403 ' CG ' ' HA ' ' A' ' 1' ' ' TRP . 42.4 tt0 -89.53 -66.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 26' ' ' CYS . 13.3 t -103.31 -4.06 24.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 21' ' ' ARG . . . 98.0 -38.86 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.137 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 41' ' ' CYS . 92.7 m -95.15 138.52 21.97 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 87.8 Cg_endo -82.27 -17.54 7.74 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.461 2.108 . . . . 0.0 113.823 -174.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.99 105.48 0.32 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.537 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -146.36 155.45 42.62 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HB2' ' OH ' ' A' ' 39' ' ' TYR . 22.2 ttmm -130.2 137.96 50.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.485 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.7 t -83.95 114.7 21.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.64 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.537 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.8 pp -132.96 143.05 40.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.141 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 54.81 38.72 30.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.247 0.546 . . . . 0.0 109.821 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 62.64 24.91 14.83 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.039 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.9 p -139.1 130.87 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.979 0.418 . . . . 0.0 110.941 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.5 m -77.16 96.25 4.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.849 0.357 . . . . 0.0 110.596 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -94.48 132.78 38.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.19 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 63.0 m -79.05 148.14 32.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.525 ' OH ' ' HB2' ' A' ' 30' ' ' LYS . 59.8 m-85 -78.38 -15.8 58.31 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.5 -178.28 17.05 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.289 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 26' ' ' CYS . 6.3 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.671 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.739 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 23.8 m-90 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.797 0.332 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.0 t -87.85 85.4 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -73.36 -70.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 p -109.47 31.74 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 0.0 111.68 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 p -115.78 7.35 14.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.318 0.58 . . . . 0.0 110.205 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -83.81 69.18 10.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.096 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.25 10.83 32.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.675 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' CYS . 6.7 mp -84.6 56.1 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.841 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 81.41 0.01 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.843 0.714 . . . . 0.0 112.002 -174.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 96.8 m 60.84 44.07 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.141 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -77.73 -27.85 50.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.01 123.41 0.7 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.237 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 m -57.86 -47.3 83.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 52.1 pttt -64.06 -24.28 67.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.108 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.14 -35.22 61.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.414 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 79.8 m -85.49 -18.08 34.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.896 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.1 m-30 -55.23 -44.06 75.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.542 0.21 . . . . 0.0 111.522 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.16 -53.6 46.29 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 77.3 Cg_exo -51.66 -43.34 51.43 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.305 2.003 . . . . 0.0 112.787 174.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 22.5 m -65.5 -39.3 91.72 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.731 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -58.62 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -63.17 -28.79 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.861 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.739 ' HG2' ' HA ' ' A' ' 1' ' ' TRP . 39.8 mt-30 -77.67 -63.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 p -108.48 -30.12 8.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.31 -47.06 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.9 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 57.4 m -94.93 144.31 27.6 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 122.612 -0.346 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -86.47 22.32 0.96 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.146 2.564 . . . . 0.0 113.017 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.94 108.25 16.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.56 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -148.8 158.22 44.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.985 0.421 . . . . 0.0 111.996 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -146.79 147.42 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 26.4 p -89.35 119.0 29.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.034 0.445 . . . . 0.0 110.895 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.5 mp -100.63 95.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.1 p30 43.15 17.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.884 1.674 . . . . 0.0 115.292 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 169.85 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.02 0.528 . . . . 0.0 110.06 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -112.26 128.78 56.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.195 0.522 . . . . 0.0 111.983 -171.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 92.0 m -75.12 99.26 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.003 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -85.82 126.58 34.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.153 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.39 148.07 32.13 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.184 176.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -79.82 23.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.91 70.64 0.99 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.916 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 36.6 t . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.284 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 34.6 p90 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.5 t -79.92 90.3 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -91.12 -3.99 56.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.6 m -117.19 -64.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.489 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.1 m 60.83 38.23 18.07 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.941 0.4 . . . . 0.0 111.24 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -88.85 -29.04 19.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.308 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -92.55 2.18 56.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.815 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' CYS . 20.5 tp -110.93 29.6 7.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.17 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 82.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.469 -173.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 7.1 t 58.57 44.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.972 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 m -77.56 -21.38 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 109.356 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.9 127.19 0.91 Allowed Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.38 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -61.3 -48.26 82.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 21.6 pttp -62.97 -32.36 73.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 110.508 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.39 -32.25 73.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.691 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 11.5 t -90.61 -20.02 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.143 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.1 m-30 -57.34 -45.79 83.97 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -61.33 -55.32 44.59 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 119.643 -0.217 . . . . 0.0 111.423 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 44.2 Cg_exo -58.75 -36.09 97.63 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.162 1.908 . . . . 0.0 112.523 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 41.9 t -63.75 -47.52 80.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.952 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -68.53 -26.36 65.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.222 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -80.47 -63.28 1.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.424 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -91.1 -31.74 16.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -171.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.96 -19.96 24.7 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -171.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -118.99 135.93 24.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.74 24.04 0.78 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.102 2.534 . . . . 0.0 113.51 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -86.9 96.2 10.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -134.64 165.11 25.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.685 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -156.96 149.38 23.22 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 29.4 p -87.79 113.74 23.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.882 0.372 . . . . 0.0 110.193 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.5 mp -102.62 111.75 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 174.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.0 m120 -19.04 80.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.506 1.754 . . . . 0.0 114.127 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 86.6 tttt 157.31 -52.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.483 1.115 . . . . 0.0 109.01 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 p -157.89 163.36 37.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.031 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 11.9 p -91.25 125.45 36.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -117.64 144.5 45.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 62.1 m -90.78 150.62 21.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.218 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.26 -8.92 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.404 0.621 . . . . 0.0 109.867 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.75 -174.85 23.86 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.266 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.481 178.617 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.455 0.169 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.48 120.34 17.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.286 0.565 . . . . 0.0 110.466 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -64.26 -23.99 67.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.974 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -100.3 38.36 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.314 0.578 . . . . 0.0 110.734 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.9 m -124.27 90.36 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.358 0.599 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.67 -162.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.303 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.64 61.61 3.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.153 0.502 . . . . 0.0 111.104 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 mp -84.37 31.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.757 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 83.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.927 0.767 . . . . 0.0 112.759 -172.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.838 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 4.1 t 61.96 37.91 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.715 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -79.28 -21.52 45.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.619 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.86 135.79 2.58 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.374 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 m -64.86 -42.59 94.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.72 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 68.0 mttm -73.29 -28.87 62.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.123 0.487 . . . . 0.0 109.803 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.51 -32.25 72.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.338 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 77.0 m -80.48 -29.76 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.629 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.9 m-30 -55.72 -41.44 73.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.636 0.255 . . . . 0.0 111.532 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.76 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.22 -58.54 16.88 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.76 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 36.7 Cg_exo -61.89 -33.27 84.68 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.108 1.872 . . . . 0.0 112.253 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 52.4 t -62.53 -43.68 98.21 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.47 -39.13 93.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.174 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.89 -33.48 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.05 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -84.07 -58.9 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.323 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -91.46 -32.06 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -171.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 -20.99 37.55 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.415 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 73.2 m -100.63 138.49 20.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 110.348 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 45.1 Cg_endo -91.32 18.16 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.895 2.397 . . . . 0.0 113.661 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -104.04 118.02 35.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.012 0.435 . . . . 0.0 110.804 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -149.79 174.38 12.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.39 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -148.88 142.72 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.838 ' HB2' ' HA ' ' A' ' 10' ' ' CYS . 22.2 p -99.34 131.29 45.46 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.159 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 pt -113.12 152.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 171.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 29.1 t-20 -67.31 79.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.032 0.444 . . . . 0.0 110.658 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 33' ' ' ASN . 42.0 mttt 169.01 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 125.286 1.434 . . . . 0.0 108.979 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -163.2 166.5 23.24 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.81 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 57.5 m -87.91 118.74 27.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 172.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -105.96 161.84 14.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.758 0.314 . . . . 0.0 110.282 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.0 m -129.63 153.31 48.22 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -87.59 28.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.62 -63.9 4.14 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -165.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.538 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.475 0.655 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -84.67 146.58 27.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.674 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -90.92 34.97 0.9 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.388 0.613 . . . . 0.0 110.546 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -161.42 -135.29 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.703 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 60.0 m 77.9 82.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.325 0.583 . . . . 0.0 112.097 169.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.07 -61.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.53 90.35 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.56 ' CD2' ' HA ' ' A' ' 5' ' ' CYS . 4.2 mm? -80.77 23.73 0.52 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -171.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB2' ' HZ3' ' A' ' 34' ' ' LYS . . . -55.68 79.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.244 0.965 . . . . 0.0 111.875 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 t 50.01 52.92 13.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.999 -172.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 6.5 m -78.19 -6.39 54.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.781 0.8 . . . . 0.0 109.393 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.58 130.12 2.35 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.5 -50.68 68.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -59.65 -30.47 68.76 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.62 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.95 -45.88 69.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.274 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 29.3 t -82.43 -19.74 38.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.036 -174.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -53.24 -41.25 65.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.26 -57.05 11.47 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.0 Cg_exo -56.83 -40.05 87.01 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.875 1.717 . . . . 0.0 112.412 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 30.4 t -62.15 -44.35 96.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.906 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.51 -39.89 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.81 -33.41 75.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.211 0.529 . . . . 0.0 110.123 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -73.91 -65.13 0.87 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 26' ' ' CYS . 11.1 t -109.0 0.56 20.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.47 -34.69 4.08 Favored Glycine 0 C--O 1.23 -0.145 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.015 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 28' ' ' ASN . 40.6 t -83.21 124.38 76.26 Favored Pre-proline 0 C--N 1.321 -0.664 0 C-N-CA 122.379 0.271 . . . . 0.0 110.394 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -87.16 13.67 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.908 2.405 . . . . 0.0 112.176 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 33.5 m-80 -103.01 103.3 13.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -177.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -134.49 159.76 40.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.788 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 40.2 mmtm -140.59 155.23 46.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.43 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 10' ' ' CYS . 28.1 p -101.99 100.51 10.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.496 -173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.1 pp -133.98 142.12 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 53.88 44.39 29.54 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HZ3' ' HB3' ' A' ' 34' ' ' LYS . 9.1 mtpm? 55.4 23.66 5.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.57 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -129.97 126.74 38.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.73 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.46 94.81 6.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 172.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -92.23 124.56 36.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -84.69 156.59 21.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.414 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.598 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 7.6 m-30 -78.64 -2.28 38.32 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.068 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.73 41.1 93.93 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.754 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.51 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.7 m-90 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.709 0.29 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' N ' ' SG ' ' A' ' 5' ' ' CYS . 17.9 p -90.67 155.56 18.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.25 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -71.16 -22.9 61.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -79.93 -17.72 52.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.58 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.633 ' HB3' ' HB3' ' A' ' 19' ' ' PRO . 3.9 p -109.53 29.0 7.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.289 0.566 . . . . 0.0 110.541 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.93 -70.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.48 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -95.73 95.43 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.399 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 5' ' ' CYS . 3.1 mm? -124.44 33.17 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.263 175.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.2 82.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.928 0.768 . . . . 0.0 112.193 -173.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LEU . 65.8 m 50.41 49.96 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.794 -176.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -78.0 -33.34 51.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.456 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.8 129.69 1.29 Allowed Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.19 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.2 t -54.56 -41.59 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.509 . . . . 0.0 109.832 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 20.6 ptmt -61.76 -25.3 67.37 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.477 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.897 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -81.29 -30.06 34.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.412 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.9 m-30 -45.34 -62.4 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -60.09 -52.03 76.26 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 75.2 Cg_exo -54.43 -36.35 87.57 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.516 2.144 . . . . 0.0 113.176 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 65.2 m -69.7 -35.59 75.21 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.899 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.1 -42.46 98.56 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.19 -45.57 92.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.017 177.371 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -64.98 -59.43 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.027 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.971 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 40.9 p -119.86 -15.15 8.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -166.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.16 -29.72 11.5 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.953 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 87.2 m -94.58 125.25 52.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.709 0.29 . . . . 0.0 110.246 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -88.95 17.99 1.54 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.159 2.573 . . . . 0.0 114.671 -171.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -95.93 140.63 30.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.883 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.631 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -160.72 142.83 12.56 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -125.94 148.96 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.9 t -100.99 130.87 47.05 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.191 -172.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.0 mp -99.67 152.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 171.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -63.51 54.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' ILE . 5.7 ptpp? 174.26 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.49 0.716 . . . . 0.0 110.491 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -159.57 138.14 10.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.621 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.3 t -79.62 122.72 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.76 125.36 51.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 -170.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.85 158.02 29.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.992 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.68 12.72 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -169.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.3 136.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.971 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 6.6 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.955 -0.545 . . . . 0.0 109.662 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.905 0.383 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 47.9 t -90.25 108.48 19.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 110.589 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -72.64 -20.75 61.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.827 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t -99.04 12.1 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.231 0.539 . . . . 0.0 110.537 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.626 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 76.0 m -115.26 102.22 9.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -83.11 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -145.69 132.05 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.758 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' CYS . 70.1 mt -130.6 19.96 5.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.259 0.974 . . . . 0.0 111.743 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 45.5 m 55.73 47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.512 -175.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.64 -4.98 51.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.131 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.78 138.3 4.06 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -65.5 -47.62 75.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.466 0.633 . . . . 0.0 110.097 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.731 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 63.2 pttt -71.06 -23.11 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.394 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.37 -29.09 57.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 109.733 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.92 -22.27 22.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.093 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.731 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.2 m-30 -52.39 -57.1 10.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.23 -54.39 53.37 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 70.2 Cg_exo -54.59 -44.45 49.44 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.362 2.041 . . . . 0.0 112.721 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.89 -41.63 98.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.29 -38.97 92.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.017 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -64.74 -37.57 88.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -74.49 -53.2 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.444 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -125.73 9.12 7.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 -17.52 10.99 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.976 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 47.6 t -84.75 122.43 74.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.587 0.232 . . . . 0.0 110.985 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.06 14.45 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.816 2.344 . . . . 0.0 112.371 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 9.3 m120 -113.11 99.51 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.266 0.555 . . . . 0.0 110.855 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.87 125.38 43.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.657 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -121.67 119.44 31.82 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.72 105.86 14.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.135 0.493 . . . . 0.0 110.157 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.9 pp -121.49 143.83 32.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.728 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 59.24 27.9 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 55.9 mtmt 70.16 24.41 4.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.198 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 m -135.96 132.78 36.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.78 111.62 6.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -109.02 119.18 38.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.41 146.35 24.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.266 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' ASN . 45.1 m-85 -78.5 -7.94 58.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.455 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.78 -45.99 3.57 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.451 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 68.6 m . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.014 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.777 0.322 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t -88.71 155.62 19.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.587 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -53.63 -55.47 25.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 110.537 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.8 p -123.76 -80.54 0.63 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.09 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m 50.45 63.66 2.12 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.409 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.13 -58.52 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -156.57 122.2 4.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.131 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' CYS . 79.4 mt -93.43 47.54 1.25 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.212 -174.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.19 83.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.985 0.803 . . . . 0.0 112.162 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 36.4 m 59.38 52.23 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.016 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 8' ' ' LEU . 37.0 p -80.87 -3.8 52.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.397 169.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 15' ' ' ASP . . . 117.97 126.94 3.73 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -174.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.9 m -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.208 0.504 . . . . 0.0 110.07 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.68 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 49.1 pttt -64.21 -23.78 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 12' ' ' GLY . 31.5 t70 -74.36 -48.31 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.524 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 73.0 m -59.44 -28.75 67.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.37 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.8 m-30 -51.47 -40.94 60.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.08 -59.64 10.72 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 13.6 Cg_exo -69.84 -26.43 27.21 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.056 1.837 . . . . 0.0 111.33 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.73 -53.15 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 41.7 ttt180 -62.1 -49.05 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -55.28 -38.57 68.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.175 -176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -100.81 -48.95 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 p -84.31 -26.7 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.02 -173.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -23.33 34.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.196 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.55 133.54 21.82 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 120.635 0.255 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 29.8 Cg_endo -90.91 25.13 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.29 2.66 . . . . 0.0 113.476 -175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.79 109.11 19.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.106 0.479 . . . . 0.0 111.412 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.617 ' H ' ' HE1' ' A' ' 17' ' ' TYR . . . -139.47 167.21 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.349 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -160.53 140.61 11.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.2 t -93.11 103.0 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.502 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 37' ' ' LYS . 1.1 pp -118.22 129.52 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 177.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 61.36 34.81 18.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 109.986 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 84.1 mttt 68.23 6.1 5.08 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.647 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -101.84 103.06 13.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.9 t -83.35 95.6 8.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.532 ' HG2' HD11 ' A' ' 32' ' ' ILE . 38.6 pttt -107.38 159.67 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.205 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.8 142.33 34.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.236 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -79.51 -7.09 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.958 0.408 . . . . 0.0 110.847 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.65 -178.48 52.44 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.998 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.35 -179.331 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.5 0.19 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 9.2 p -91.4 81.34 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.178 0.513 . . . . 0.0 110.12 176.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -51.27 -38.38 52.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.033 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -117.36 53.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 22.1 p -113.99 -25.66 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 175.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 7' ' ' ASP . 3.2 pp -79.59 -26.12 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.042 -173.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.451 ' N ' HD12 ' A' ' 6' ' ' LEU . 30.2 t70 -110.48 27.8 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.9 0.857 . . . . 0.0 109.739 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' A' ' 11' ' ' THR . 16.0 tp -118.16 18.53 13.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.607 0.717 . . . . 0.0 109.835 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 86.26 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.156 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m 65.3 37.36 6.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.759 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.549 ' HB ' HD12 ' A' ' 8' ' ' LEU . 27.6 m -78.86 -31.45 45.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . 172.88 127.9 1.01 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 p -63.13 -41.47 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.16 0.48 . . . . 0.0 110.969 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.6 ptpt -62.46 -29.45 70.54 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 110.321 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' HB3' HD11 ' A' ' 8' ' ' LEU . 10.7 m-20 -68.96 -46.73 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.785 173.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.16 -33.3 69.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.526 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.2 m-30 -52.77 -40.58 63.29 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.57 -58.54 9.85 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 27.0 Cg_exo -63.35 -31.23 73.19 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.143 1.895 . . . . 0.0 111.921 177.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.7 t -62.63 -47.38 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.053 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.625 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 50.9 ttp180 -65.16 -39.22 92.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.633 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.58 -35.1 76.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.79 -61.87 1.72 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.9 t -107.01 1.11 24.13 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 21' ' ' ARG . . . 87.71 -37.21 3.26 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.621 174.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.1 m -102.77 115.8 63.66 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.625 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 58.6 Cg_endo -80.68 28.13 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.452 2.768 . . . . 0.0 114.077 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.5 HD22 ' HD2' ' A' ' 39' ' ' TYR . 5.7 p-10 -99.48 108.24 20.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.517 0.675 . . . . 0.0 110.518 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -141.46 156.12 45.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.591 -175.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -132.0 128.66 38.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 14.3 p -81.74 142.72 32.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.509 0.671 . . . . 0.0 111.737 -171.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' LYS . 26.7 pt -124.24 158.57 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -65.29 74.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.256 0.551 . . . . 0.0 111.519 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' ILE . 39.8 ttmt 172.5 -47.5 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.56 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.6 m -160.6 168.88 24.04 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 36.0 m -88.25 105.11 17.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.35 109.49 15.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.184 0.516 . . . . 0.0 110.972 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.2 m -81.27 149.23 29.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.339 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.5 ' HD2' HD22 ' A' ' 28' ' ' ASN . 63.9 m-85 -85.17 14.38 5.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.78 -61.09 4.07 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -172.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.182 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 23' ' ' GLN . 89.0 m95 . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.524 0.202 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.522 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 20.7 p -90.71 98.87 12.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.727 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 p -84.98 2.69 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.267 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.1 m -85.64 56.23 3.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.259 0.552 . . . . 0.0 110.852 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.48 -59.29 2.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -147.03 122.08 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.658 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 1.1 pt? -141.74 24.85 2.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.307 0.575 . . . . 0.0 110.484 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.11 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.0 m 67.83 46.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.686 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -86.43 11.57 12.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.966 0.888 . . . . 0.0 108.947 173.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.18 121.45 3.96 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.236 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -39.29 82.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.304 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 84.8 mttt -75.1 -11.4 60.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.36 -44.64 12.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 75.1 m -61.69 -22.06 65.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.653 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 27' ' ' PRO . 12.1 m-30 -47.61 -40.91 20.65 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 123.205 0.316 . . . . 0.0 111.381 173.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.734 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -69.13 -57.84 6.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.916 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 78.3 Cg_exo -52.83 -45.9 37.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.429 2.086 . . . . 0.0 112.907 176.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 87.8 m -64.0 -43.64 95.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.511 0.196 . . . . 0.0 110.942 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 25.0 ttt180 -61.87 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' A' ' 2' ' ' CYS . 53.0 tttp -65.78 -38.54 89.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.626 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.855 ' HA ' ' HB2' ' A' ' 1' ' ' TRP . 56.0 tp60 -75.92 -53.95 7.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.999 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.709 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 45.2 p -110.59 -22.46 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.66 -35.72 4.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.811 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 64.1 m -97.72 123.62 51.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 17' ' ' TYR . 74.1 Cg_endo -75.03 -24.02 13.18 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.733 2.289 . . . . 0.0 113.627 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -56.28 123.04 13.25 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.041 0.448 . . . . 0.0 112.127 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.517 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -152.28 169.84 21.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.732 -176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HE3' ' OH ' ' A' ' 39' ' ' TYR . 38.2 ttmt -149.65 138.08 20.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.81 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 3.2 p -88.36 136.34 33.03 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.171 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -118.73 159.03 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.5 m120 -68.4 74.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.397 0.435 . . . . 0.0 111.257 -175.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 28.3 tptp 168.73 -43.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.202 1.001 . . . . 0.0 109.113 -177.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -162.75 160.51 25.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.1 t -91.53 110.51 21.83 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -103.85 133.79 48.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 111.105 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.2 m -79.9 162.88 24.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.4 ' OH ' ' HE3' ' A' ' 30' ' ' LYS . 30.0 m-85 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.706 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.34 143.02 13.87 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.049 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 34.9 t . . . . . 0 C--O 1.249 1.029 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.5 t -80.58 101.4 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 0.0 110.994 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -91.16 9.1 32.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.98 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -150.45 80.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.897 0.38 . . . . 0.0 111.23 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.6 p -170.15 60.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.113 0.482 . . . . 0.0 110.563 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 tp -83.47 -74.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.919 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -124.24 77.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.9 mp -103.96 40.83 1.37 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.466 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 82.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.885 0.741 . . . . 0.0 111.58 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.8 m 57.77 47.31 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.887 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -80.21 -14.58 58.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.292 173.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.15 125.08 1.48 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.384 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 m -57.41 -40.29 77.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.26 0.53 . . . . 0.0 110.96 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 17' ' ' TYR . 67.8 mttm -76.4 -15.59 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.742 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.96 -29.25 43.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 59.9 m -79.39 -21.33 45.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.021 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 14' ' ' LYS . 3.8 m-30 -45.01 -55.03 5.92 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.565 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.74 -56.66 30.43 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.297 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 66.4 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.248 1.966 . . . . 0.0 112.928 177.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.8 m -66.1 -37.34 85.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.287 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -68.57 -39.88 80.81 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.76 -45.5 82.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.045 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.66 -54.61 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.423 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -90.8 -39.87 12.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.37 -16.8 24.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.411 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.3 m -112.8 137.73 21.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.691 0.282 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -82.9 17.83 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.984 2.456 . . . . 0.0 113.387 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -79.6 100.63 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.776 0.322 . . . . 0.0 110.202 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.6 154.85 45.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.428 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -151.14 156.45 41.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.595 ' CB ' ' HA ' ' A' ' 10' ' ' CYS . 16.2 p -96.27 147.98 23.22 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.159 -177.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -122.86 165.23 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -69.54 61.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -171.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 177.21 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.679 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -161.41 178.79 8.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.094 0.474 . . . . 0.0 111.331 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 58.3 m -91.97 136.55 33.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 175.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -111.43 143.46 42.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.3 m -104.38 144.42 31.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.428 ' N ' ' HD1' ' A' ' 39' ' ' TYR . 1.3 m-30 -79.21 -18.61 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.411 0.624 . . . . 0.0 109.872 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.92 -164.37 12.35 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.255 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.751 -179.698 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 6.4 p -92.81 125.49 37.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.093 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -77.66 -34.8 52.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.435 0.636 . . . . 0.0 109.481 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 7' ' ' ASP . 61.0 m -136.75 103.74 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.408 176.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 5.8 p -140.48 -60.53 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.837 0.351 . . . . 0.0 111.6 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.6 pt? -87.98 4.75 43.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.576 0.703 . . . . 0.0 109.261 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HB2' HG23 ' A' ' 4' ' ' THR . 2.1 m-20 -88.54 -2.0 58.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.27 -177.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD12 ' HB ' ' A' ' 11' ' ' THR . 3.0 mm? -88.23 53.37 2.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.007 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.37 82.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.05 0.844 . . . . 0.0 111.472 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.7 m 54.5 47.49 22.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.837 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.45 ' HB ' HD12 ' A' ' 8' ' ' LEU . 14.8 m -86.19 -13.52 46.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.265 173.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.01 124.03 1.84 Allowed Glycine 0 N--CA 1.44 -1.05 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.539 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -56.2 -46.26 79.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.608 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.1 ptpt -62.67 -26.33 68.59 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.202 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.67 -43.7 46.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.342 0.591 . . . . 0.0 109.703 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.6 t -81.68 -8.84 59.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.937 -175.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.608 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 7.6 m-30 -44.36 -53.67 6.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.578 0.227 . . . . 0.0 111.531 173.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.49 -57.12 24.25 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 59.6 Cg_exo -53.89 -45.99 36.95 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.318 2.012 . . . . 0.0 112.776 178.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.21 -46.88 88.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.358 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 21' ' ' ARG . 31.3 ttt180 -64.75 -40.14 94.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.898 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -64.7 -39.23 93.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.628 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.87 -55.25 5.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -92.61 -40.43 10.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.927 0.394 . . . . 0.0 111.956 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.63 -17.64 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.443 -172.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 44.5 t -86.34 127.05 62.68 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.662 0.267 . . . . 0.0 110.916 -178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.76 10.64 3.61 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.848 2.365 . . . . 0.0 112.817 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -116.52 111.57 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.052 0.453 . . . . 0.0 110.72 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.18 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -133.93 129.62 36.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.38 120.47 26.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.234 0.54 . . . . 0.0 111.184 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.528 HD11 ' HG3' ' A' ' 37' ' ' LYS . 40.5 pt -132.16 140.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.266 176.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 35' ' ' SER . 16.8 m120 49.26 49.66 19.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.43 0.456 . . . . 0.0 110.274 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.671 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 32.2 mtmm 70.99 -28.65 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.126 0.97 . . . . 0.0 112.265 -176.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 33' ' ' ASN . 33.0 t -81.67 124.63 29.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.862 0.363 . . . . 0.0 111.675 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.73 100.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 168.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.528 ' HG3' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -95.25 124.29 39.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 0.0 110.648 -175.151 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.9 m -89.28 144.75 25.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.155 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -79.25 1.13 25.87 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.51 92.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.934 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 26.5 m . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.21 -173.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 51.8 t -90.43 115.66 27.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -78.35 -7.69 57.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -119.01 20.82 12.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.459 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 80.1 m -123.54 49.25 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.24 -3.77 15.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.699 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.28 56.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -173.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.0 mp -107.73 47.76 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.1 176.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.07 83.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.183 -174.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.8 m 57.04 49.58 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.633 -176.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -78.01 -10.07 59.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.671 171.152 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.18 131.94 3.71 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.9 176.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 p -62.6 -42.05 99.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.509 0.655 . . . . 0.0 109.6 178.25 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.8 ptmm? -52.14 -36.0 50.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.085 173.556 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.01 -40.58 24.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.623 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 98.8 m -62.3 -28.09 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.627 178.458 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.8 m-30 -57.54 -33.79 68.46 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.559 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.42 -61.45 5.94 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.248 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 3.8 Cg_exo -73.93 -26.43 13.2 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.059 1.84 . . . . 0.0 110.614 -177.093 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.625 ' O ' HG22 ' A' ' 24' ' ' THR . 36.4 t -61.42 -57.58 11.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.05 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' ' 21' ' ' ARG . 2.7 tmt_? -59.39 -42.92 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.96 -33.84 75.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.592 -178.191 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 -60.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.773 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' CYS . 14.9 t -93.23 -5.07 50.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.964 -170.801 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.25 -43.25 2.14 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.435 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 33.6 m -103.9 133.29 20.34 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.071 0.462 . . . . 0.0 111.127 -178.106 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -84.96 35.99 0.55 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.762 2.974 . . . . 0.0 113.182 -178.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -107.14 101.34 10.75 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.115 0.483 . . . . 0.0 110.707 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.56 151.8 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.47 -179.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -145.07 137.86 26.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 p -94.43 119.44 33.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.607 0.717 . . . . 0.0 110.091 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.41 131.04 57.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.84 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.71 36.23 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.018 0.437 . . . . 0.0 110.049 -177.192 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 67.4 12.51 8.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.902 -178.31 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.6 t -110.31 110.69 21.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.0 t -82.66 95.55 7.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -99.75 126.23 45.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.194 -172.139 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.1 m -79.76 145.3 32.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.533 172.109 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.94 9.78 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.069 0.461 . . . . 0.0 110.425 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 81.93 -148.27 27.05 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.5 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.324 178.778 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.552 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 5.8 p -90.92 140.42 29.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.595 175.851 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.71 ' HB3' ' HB2' ' A' ' 19' ' ' PRO . 1.3 p -83.8 -11.58 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.108 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 p -93.1 -32.31 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.361 . . . . 0.0 111.546 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -15.08 52.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.286 0.565 . . . . 0.0 110.449 -178.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 8' ' ' LEU . 59.5 tp -120.71 123.71 43.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.575 178.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.33 87.47 7.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 6' ' ' LEU . 5.3 mp -83.9 57.57 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.895 176.195 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.38 85.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.742 0.651 . . . . 0.0 111.468 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 20.9 m 54.78 47.03 23.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.97 -175.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -78.48 -8.24 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 170.344 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.55 119.38 1.95 Allowed Glycine 0 N--CA 1.434 -1.435 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.8 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -60.8 -34.54 74.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.461 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 66.7 mttm -56.26 -40.13 73.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.419 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.05 -48.98 55.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.683 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 76.3 m -67.93 -18.18 64.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.688 -174.526 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.2 m-85 -52.35 -46.47 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.598 0.237 . . . . 0.0 111.05 176.149 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.06 -58.15 15.57 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.226 -176.031 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.3 Cg_exo -60.32 -38.91 71.82 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.75 . . . . 0.0 112.423 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' O ' HG22 ' A' ' 24' ' ' THR . 47.0 t -65.63 -47.03 76.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.346 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -63.38 -41.96 98.81 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -65.66 -33.83 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.534 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.552 ' NE2' ' HB2' ' A' ' 2' ' ' CYS . 44.2 mt-30 -75.59 -61.52 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 20' ' ' CYS . 14.8 t -95.74 -30.27 13.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 -171.069 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.89 -41.54 1.64 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.676 -177.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 61.0 m -105.82 139.45 20.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.755 -0.262 . . . . 0.0 110.686 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -83.47 26.47 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.252 2.634 . . . . 0.0 113.042 -177.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -76.45 78.52 3.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.16 130.86 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -125.24 129.18 49.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.132 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -79.45 120.88 24.48 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.68 0.752 . . . . 0.0 110.341 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 35' ' ' SER . 24.9 pt -103.44 163.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 170.182 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -45.23 -35.88 3.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -170.59 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -100.12 -25.87 14.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.241 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' HG12 ' A' ' 32' ' ' ILE . 25.1 m -159.07 165.09 34.69 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.72 -0.612 . . . . 0.0 111.955 -168.273 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.7 m -91.16 105.43 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 169.192 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -92.04 117.09 29.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.156 -173.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.5 m -85.43 143.46 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.707 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.53 1.02 23.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.707 0.289 . . . . 0.0 111.67 -174.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.28 105.14 0.19 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.191 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 38.8 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.863 -177.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 81.4 m95 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.593 0.235 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p -90.58 114.16 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 111.583 -174.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 m -77.62 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.299 0.571 . . . . 0.0 110.088 176.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -78.57 -17.43 56.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.378 175.154 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.671 ' HB3' HD11 ' A' ' 8' ' ' LEU . 63.3 m -83.37 73.76 10.13 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.172 175.367 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -77.75 -56.51 4.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.9 -176.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.37 125.52 38.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.183 0.516 . . . . 0.0 109.984 174.555 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 5' ' ' CYS . 5.3 mp -107.12 7.63 29.73 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.506 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 34' ' ' LYS . . . -61.73 77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.558 -175.229 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 36.2 m 61.02 50.62 4.94 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.797 -171.266 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -78.85 -16.09 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.149 172.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.16 139.32 4.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.0 -179.033 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 p -62.55 -49.93 73.34 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.535 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.638 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 29.5 mmtp -61.43 -40.5 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.805 178.63 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.2 -33.33 75.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.025 -178.268 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.86 -20.69 23.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.891 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.638 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 11.3 m-85 -50.06 -50.29 48.44 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.753 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.08 -57.75 21.78 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.155 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 36.5 Cg_exo -60.49 -40.31 58.18 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.171 1.914 . . . . 0.0 112.673 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.02 -44.79 94.37 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.656 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 60.2 ttt180 -66.9 -38.83 87.01 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.467 177.537 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.648 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -86.65 -58.15 2.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.57 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -95.22 -30.99 13.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -173.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.93 -8.96 50.8 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -171.106 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.1 t -91.16 116.54 66.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.724 0.297 . . . . 0.0 110.213 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 87.6 Cg_endo -85.39 12.74 2.97 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.781 2.321 . . . . 0.0 113.282 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -120.68 118.56 30.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 0.0 110.493 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.555 ' HB1' ' SG ' ' A' ' 36' ' ' CYS . . . -145.32 156.27 43.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.571 -178.584 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 61.9 tttm -150.59 139.39 20.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.273 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -88.11 132.77 34.19 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.982 -176.751 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 pt -137.86 139.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.537 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 47.26 40.83 11.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.656 0.382 . . . . 0.0 111.803 -178.355 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.644 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 28.3 mtpp 54.89 47.27 22.63 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.019 -174.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -151.78 125.6 9.07 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 170.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.555 ' SG ' ' HB1' ' A' ' 29' ' ' ALA . 49.4 t -76.39 113.03 13.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.461 -178.057 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 30' ' ' LYS . 13.1 ptmm? -89.59 135.68 33.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m -104.12 145.76 29.72 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -78.09 0.37 24.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.74 -172.462 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.65 39.86 93.98 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.796 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.469 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 80.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.236 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 1.089 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 6.4 m95 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.021 0.438 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.22 -171.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.926 178.244 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -90.06 -76.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.966 0.412 . . . . 0.0 111.4 -178.648 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -81.41 -28.09 34.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.162 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.8 m 49.55 59.08 4.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.475 0.655 . . . . 0.0 112.268 174.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.83 -66.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.389 172.512 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.437 ' C ' HD12 ' A' ' 8' ' ' LEU . 32.6 t70 -139.68 134.36 31.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.262 171.795 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 7' ' ' ASP . 7.4 mp -121.98 1.6 9.84 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.496 0.665 . . . . 0.0 110.322 178.69 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 34' ' ' LYS . . . -60.69 82.92 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.279 -172.681 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 12' ' ' GLY . 92.3 m 60.86 51.35 4.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.289 -175.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -79.79 21.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.281 0.562 . . . . 0.0 110.782 174.52 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 100.64 130.67 7.11 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -173.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -59.35 -45.73 90.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.023 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.6 pttp -63.92 -14.86 56.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -86.7 -57.07 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.853 0.358 . . . . 0.0 110.044 175.286 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t -69.09 -15.9 63.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.238 -170.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.6 m-85 -50.75 -43.66 58.25 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.543 173.146 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.02 -58.62 8.94 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.776 -176.005 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 49.5 Cg_exo -57.47 -37.77 96.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 122.03 1.82 . . . . 0.0 112.669 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.3 t -62.79 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.44 -37.74 87.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 175.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 18' ' ' ALA . 8.6 mtpm? -62.73 -38.59 91.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.28 178.031 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 1.089 ' HG2' ' HB2' ' A' ' 1' ' ' TRP . 76.2 mt-30 -82.34 -52.58 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.805 -177.003 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.899 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 80.7 p -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.744 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 -14.88 50.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.591 -173.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.92 129.21 25.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -82.64 19.89 1.22 Allowed 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.995 2.463 . . . . 0.0 113.09 -176.247 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -89.77 91.6 8.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.958 0.408 . . . . 0.0 111.005 -178.176 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.35 166.26 18.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 31' ' ' CYS . 49.4 tttm -159.53 161.04 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.624 177.169 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.8 t -96.94 118.36 33.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.823 179.181 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 pt -140.9 140.98 32.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.178 172.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 52.3 42.6 31.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.254 177.167 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 59.7 mttp 54.38 36.93 26.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.996 -177.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -148.42 148.73 30.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.9 t -90.71 128.22 36.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.803 0.335 . . . . 0.0 110.127 178.156 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -119.65 153.6 35.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.217 178.099 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.05 150.51 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -78.94 2.63 19.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 111.671 -175.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.48 130.65 6.76 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.247 177.775 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.899 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 22.7 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -179.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 10.6 m0 . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.645 0.259 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.8 p -92.43 117.59 30.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.893 0.378 . . . . 0.0 110.787 178.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -72.91 -23.59 60.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.671 -179.205 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -83.59 23.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.471 0.653 . . . . 0.0 110.83 177.379 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 92.0 m -113.13 57.02 0.67 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.69 0.757 . . . . 0.0 110.181 177.508 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 tp -114.82 -37.28 4.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.198 174.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 56.83 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.83 177.138 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.3 pp -116.02 19.85 14.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.282 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.628 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.65 83.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.627 -175.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 1.3 m 53.22 58.35 5.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.713 -172.542 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 15' ' ' ASP . 8.8 t -78.04 6.26 8.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.31 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.61 137.03 8.99 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 p -55.68 -46.22 77.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.191 0.495 . . . . 0.0 111.202 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.1 ptpp? -64.74 -21.18 66.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -178.494 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.606 ' HB3' HG23 ' A' ' 11' ' ' THR . 13.7 t70 -88.71 -40.36 13.31 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 84.4 m -60.14 -26.82 66.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 20.6 m-30 -53.67 -37.01 62.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.57 176.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.91 -57.95 8.77 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.9 -177.055 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 66.2 Cg_exo -54.35 -44.34 50.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.236 1.958 . . . . 0.0 112.3 175.49 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -59.24 -44.51 92.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.541 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 63.1 ttt180 -65.0 -42.92 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.451 178.709 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.49 -22.22 64.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -97.45 -52.71 3.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -91.18 -31.52 16.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.849 0.357 . . . . 0.0 111.71 -174.276 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 -9.79 57.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.426 -171.605 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.0 m -114.9 130.24 24.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.27 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 27.6 Cg_endo -89.41 28.14 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.375 2.716 . . . . 0.0 114.227 -172.633 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' ND2' ' HB2' ' A' ' 39' ' ' TYR . 19.5 p-10 -112.89 108.95 18.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.565 0.698 . . . . 0.0 112.024 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -143.64 162.24 36.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.296 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -140.97 130.17 23.51 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.536 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -82.79 115.31 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.987 -178.697 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 pt -132.83 141.26 45.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.713 176.258 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 54.77 34.71 22.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.477 0.485 . . . . 0.0 110.012 -174.551 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 56.8 mtpt 64.78 14.87 9.46 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.044 -178.53 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 14.4 m -116.34 131.31 56.98 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.587 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 67.7 m -75.12 84.11 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 109.954 177.29 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 122.77 29.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.959 -175.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 78.1 m -78.87 153.01 30.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 -177.136 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.465 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 96.9 m-85 -79.41 -2.5 42.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.434 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 141.45 10.91 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.841 178.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.31 -179.196 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.604 0.24 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 83.68 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.952 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.5 m 60.53 47.79 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.534 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -78.99 -13.97 59.48 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 123.77 1.93 Allowed Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.582 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.0 m -60.25 -44.26 95.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.273 0.537 . . . . 0.0 109.974 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 98.1 mttt -64.44 -26.6 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.36 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.14 -41.62 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -77.34 -15.05 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.063 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.4 m-30 -52.38 -46.78 66.37 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.608 0.242 . . . . 0.0 111.458 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.676 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.21 -55.06 22.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.575 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 79.9 Cg_exo -50.2 -46.42 28.7 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.592 2.195 . . . . 0.0 112.975 174.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.93 -41.37 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 38.9 ttm180 -59.29 -45.94 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.272 0.558 . . . . 0.0 110.167 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -73.54 -17.51 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.311 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.574 ' C ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -90.02 -55.64 3.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.828 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.563 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 73.0 p -102.35 -28.75 12.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 -16.69 29.9 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 90.5 m -117.58 123.12 30.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.685 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 45.6 Cg_endo -83.72 27.67 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.301 2.667 . . . . 0.0 113.738 -174.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -106.23 108.36 19.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.42 163.88 35.81 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.728 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -144.89 143.09 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 23.0 p -84.07 109.23 17.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.607 HD11 ' HE2' ' A' ' 37' ' ' LYS . 15.2 pt -144.26 155.66 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 10.0 t30 63.8 21.91 12.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.134 0.969 . . . . 0.0 109.641 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 66.39 28.92 9.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.921 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -151.41 150.53 30.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 98.3 m -81.89 94.29 7.07 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.904 -0.498 . . . . 0.0 110.315 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.607 ' HE2' HD11 ' A' ' 32' ' ' ILE . 31.7 ttpt -83.24 134.18 34.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.203 -176.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.3 m -90.31 148.11 23.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.796 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -82.72 20.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.71 0.29 . . . . 0.0 111.374 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.12 152.42 22.51 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.465 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 37.5 t . . . . . 0 C--O 1.248 0.975 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 mm? . . . . . 0 C--O 1.234 0.278 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -53.9 81.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.176 0.922 . . . . 0.0 112.746 -171.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.1 m 52.66 45.06 29.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.189 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -78.96 -13.03 60.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.851 0.834 . . . . 0.0 108.837 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.13 134.99 2.89 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.432 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -64.92 -39.3 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 0.0 110.373 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 48.1 mmtm -58.22 -38.83 77.59 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.338 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.75 -44.59 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.762 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.25 -32.6 71.3 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.606 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 19.9 m-85 -51.1 -48.22 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -63.49 -58.09 17.0 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -176.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 65.9 Cg_exo -53.66 -44.68 47.02 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.337 2.025 . . . . 0.0 112.735 177.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.9 t -61.09 -46.36 90.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.689 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 47.2 ttt180 -61.9 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.12 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -65.43 -27.25 68.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.736 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -80.7 -65.89 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.419 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.5 p -86.0 -32.17 21.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.515 -172.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.07 -21.13 10.36 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB3' ' ND2' ' A' ' 28' ' ' ASN . 84.4 m -123.41 139.64 32.34 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.585 0.231 . . . . 0.0 110.436 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 61.4 Cg_endo -89.41 16.68 1.73 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.058 2.506 . . . . 0.0 114.646 -172.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 26' ' ' CYS . 3.3 p30 -81.64 91.77 6.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.465 0.65 . . . . 0.0 111.172 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.624 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -137.85 151.33 47.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.659 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -149.24 145.66 27.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 16.2 p -92.01 108.14 19.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.354 0.597 . . . . 0.0 110.449 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.94 118.32 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.504 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 56.4 47.9 18.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.683 0.614 . . . . 0.0 109.405 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 33.5 mmtp 73.25 -15.07 0.56 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.278 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.9 m -86.72 104.75 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.109 -0.37 . . . . 0.0 110.878 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 49.5 t -64.27 108.12 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.53 129.9 53.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 110.574 -173.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -88.12 146.47 25.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.511 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -79.53 -16.01 56.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.25 0.548 . . . . 0.0 110.014 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.13 -140.69 11.95 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.895 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.361 179.084 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.583 HD12 HG21 ' A' ' 11' ' ' THR . 1.9 mm? . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.454 0.169 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.17 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.772 0.67 . . . . 0.0 111.747 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.7 m 57.59 45.61 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.98 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 8' ' ' LEU . 15.4 t -79.1 -15.07 58.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 109.132 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.62 134.9 2.66 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.178 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.2 m -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.9 0.35 . . . . 0.0 110.729 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.3 ptpt -65.38 -21.29 66.66 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.935 0.397 . . . . 0.0 110.565 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.05 -52.61 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -64.52 -17.01 63.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.471 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.682 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -53.38 -41.3 65.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.85 -56.74 13.2 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.974 -176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.9 Cg_exo -56.01 -37.86 95.57 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 121.941 1.76 . . . . 0.0 112.052 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 48.0 t -63.44 -41.66 98.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.448 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 21' ' ' ARG . 26.2 ttm-85 -62.51 -40.87 98.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.936 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -61.74 -39.02 90.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.171 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.98 -55.75 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.093 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 p -99.47 -29.16 12.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -172.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.42 -19.67 31.27 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.227 -172.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.04 128.46 25.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.828 0.347 . . . . 0.0 110.097 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.29 22.49 0.81 Allowed 'Trans proline' 0 CA--C 1.527 0.134 0 C-N-CA 122.957 2.438 . . . . 0.0 113.699 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.64 93.41 9.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.21 0.529 . . . . 0.0 110.646 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -125.43 149.39 48.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.18 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.58 129.43 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 7.9 t -85.34 111.52 19.98 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.385 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 35' ' ' SER . 13.9 pt -81.33 -178.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 166.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -53.77 97.96 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.875 0.845 . . . . 0.0 112.194 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 68.74 28.28 5.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.541 -1.208 . . . . 0.0 112.329 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.5 m -154.92 112.57 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 111.783 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 90.5 m -78.61 93.4 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.217 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -89.0 141.92 28.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 -175.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.8 m -93.05 146.41 23.66 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.88 -15.7 58.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.978 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.53 -178.29 18.42 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.202 -179.018 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.34 83.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.858 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.47 51.67 3.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.988 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -78.68 0.29 27.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.712 171.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.28 137.45 7.33 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.271 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -57.45 -42.97 83.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.923 0.362 . . . . 0.0 110.195 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -62.56 -22.89 66.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.64 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.26 -44.68 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.56 -16.77 63.48 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.383 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.9 m-30 -50.93 -46.31 60.85 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -61.97 -58.78 15.78 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.8 Cg_exo -57.37 -43.13 54.79 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.099 1.866 . . . . 0.0 112.649 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.83 -46.87 83.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.337 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.782 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 78.5 ttt180 -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.6 -36.07 82.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.346 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.77 -53.02 5.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 p -93.26 -28.42 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -171.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -12.2 56.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.504 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.36 115.35 25.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.782 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 65.6 Cg_endo -74.69 -20.46 17.62 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.826 2.351 . . . . 0.0 114.32 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.73 103.96 0.19 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.0 112.39 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.19 160.23 42.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.598 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -144.36 143.39 30.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.8 p -87.43 107.11 18.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.773 0.797 . . . . 0.0 110.741 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.971 HD11 ' HD3' ' A' ' 37' ' ' LYS . 22.2 pt -118.04 143.67 28.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.343 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 54.75 36.68 26.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.773 -170.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 59.42 28.67 18.09 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.852 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -139.28 123.95 18.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 84.5 m -72.23 104.02 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.087 0.47 . . . . 0.0 111.059 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.971 ' HD3' HD11 ' A' ' 32' ' ' ILE . 45.8 mtpt -94.07 132.88 38.13 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.13 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -93.07 149.36 21.28 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.806 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -86.72 16.19 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 0.0 110.329 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 -112.5 4.36 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -172.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.685 . . . . 0.0 109.816 174.124 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 15' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.138 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.67 79.43 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.691 0.619 . . . . 0.0 111.158 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.4 t 48.55 48.21 19.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.739 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.405 ' HB ' HD13 ' A' ' 8' ' ' LEU . 4.3 m -89.5 32.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.123 0.964 . . . . 0.0 109.146 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.28 107.01 3.15 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.744 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.8 m -57.5 -30.59 65.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 60.6 mttm -56.33 -34.45 66.57 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.081 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' HD11 ' A' ' 8' ' ' LEU . 7.9 t0 -77.28 -49.18 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 15.9 t -68.12 -10.15 51.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.075 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 13.5 m-30 -52.27 -42.75 63.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.684 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.28 -56.12 21.61 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.911 -177.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.0 Cg_exo -54.67 -44.14 52.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.236 1.958 . . . . 0.0 112.65 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.8 -46.0 91.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.699 0.285 . . . . 0.0 110.386 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -60.44 -44.08 96.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.685 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.33 -29.65 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -82.79 -62.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -87.92 -29.75 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.939 0.399 . . . . 0.0 111.445 -173.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.17 -8.92 38.88 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.618 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.8 m -131.51 135.15 26.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.612 0.244 . . . . 0.0 110.48 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.92 26.59 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.585 2.856 . . . . 0.0 113.961 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 2.9 m-20 -83.19 93.07 7.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.13 145.27 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 111.823 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -148.86 135.12 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.179 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 11.8 p -83.51 123.6 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.36 0.6 . . . . 0.0 111.198 -175.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.481 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.4 pp -140.42 144.53 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 55.51 44.81 26.24 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.15 32.2 1.38 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.613 1.165 . . . . 0.0 112.387 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -139.76 132.86 29.6 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.7 p -79.92 104.51 10.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.423 0.63 . . . . 0.0 110.417 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 35.3 ttpt -90.68 136.05 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.95 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 80.2 m -91.26 147.27 23.17 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -79.62 22.51 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.57 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -170.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.529 173.755 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? . . . . . 0 C--O 1.235 0.319 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -56.44 81.06 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.206 0.941 . . . . 0.0 112.598 -169.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 83.9 m 55.67 44.72 25.97 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.315 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -14.65 59.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.772 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.55 134.15 2.66 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.471 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.566 ' O ' ' HD1' ' A' ' 17' ' ' TYR . 30.4 m -60.04 -45.22 93.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' TYR . 21.5 pttp -54.81 -31.07 58.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.334 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.12 -47.34 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.092 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.06 -16.66 64.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.163 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.7 m-85 -53.33 -40.93 65.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.031 173.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.52 -58.17 12.58 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.865 -175.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 33.5 Cg_exo -59.85 -43.67 35.9 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.974 1.783 . . . . 0.0 112.481 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.17 -47.58 85.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.693 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 40.7 ttp-105 -68.84 -38.08 79.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.33 -28.73 68.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.394 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.812 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 57.1 p -83.04 -41.29 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 112.009 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.61 -19.51 11.4 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -169.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -106.91 127.26 28.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 70.5 Cg_endo -87.92 12.51 2.85 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.892 2.395 . . . . 0.0 112.841 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.5 95.35 3.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.43 148.66 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.111 0.481 . . . . 0.0 111.911 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -140.97 129.53 22.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.826 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 19.8 t -83.26 120.39 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.237 -176.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 32' ' ' ILE . 26.2 pt -133.16 138.06 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.632 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.67 40.13 30.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 6.1 mptp? 63.06 23.47 13.99 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -140.01 119.34 12.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.169 0.509 . . . . 0.0 110.306 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 71.9 m -72.29 111.07 7.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.755 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -95.76 162.74 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.6 m -110.04 152.12 26.33 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.43 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -80.0 26.92 0.32 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.651 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 126.07 0.27 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.359 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.812 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 21.3 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.509 -0.757 . . . . 0.0 109.121 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 6.0 mp . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.587 0.232 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.69 83.34 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.099 0.875 . . . . 0.0 111.116 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LEU . 16.5 m 59.11 48.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.961 -174.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 20.5 p -78.57 -28.86 45.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.345 171.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.39 132.82 2.12 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.146 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -61.4 -40.28 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.98 0.39 . . . . 0.0 110.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mttp -63.72 -28.72 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.046 0.45 . . . . 0.0 110.698 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.9 -26.54 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.116 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.54 -20.05 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -49.34 -52.48 27.76 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -59.3 -57.35 27.67 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 49.9 Cg_exo -57.3 -43.4 52.73 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.057 1.838 . . . . 0.0 112.487 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.87 -47.85 84.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 58.3 ttp180 -61.3 -42.55 98.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -62.52 -35.58 79.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.019 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -79.22 -56.35 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.941 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.7 p -97.99 -36.99 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.17 -16.6 56.9 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -171.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.92 96.17 48.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 84.5 Cg_endo -82.07 19.17 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 114.627 -169.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -79.54 98.68 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.339 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -129.68 154.93 46.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -176.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.64 134.75 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.057 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 5.1 t -83.57 113.06 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.521 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.009 HD11 ' HE2' ' A' ' 37' ' ' LYS . 18.8 pt -142.57 154.69 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.33 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 67.2 m-20 58.3 34.46 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.602 0.239 . . . . 0.0 110.384 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 5.2 mptp? 73.38 0.64 3.72 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -134.98 162.55 32.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 110.676 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 53.1 t -88.7 116.76 27.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 1.009 ' HE2' HD11 ' A' ' 32' ' ' ILE . 32.7 ttpt -114.72 123.08 48.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 44.4 m -79.7 149.0 31.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.282 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.05 -24.34 47.8 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.66 178.5 52.21 Favored Glycine 0 N--CA 1.439 -1.151 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.447 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.453 177.299 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' CYS . 64.1 mt . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 119.873 -0.108 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.91 84.13 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.164 0.915 . . . . 0.0 112.287 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.639 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 35.5 m 57.99 53.06 7.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.483 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 ' HB3' ' A' ' 15' ' ' ASP . 9.4 t -81.48 17.3 1.42 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.861 0.838 . . . . 0.0 108.774 170.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 96.98 126.08 5.21 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -170.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -59.08 -35.92 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.86 0.83 . . . . 0.0 109.611 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 28.8 mmmt -58.75 -37.36 76.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.834 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.609 ' HB3' HG23 ' A' ' 11' ' ' THR . 11.4 t70 -81.96 -19.96 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.096 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' SG ' HG22 ' A' ' 11' ' ' THR . 70.6 m -88.29 -25.97 22.53 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.719 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 18.6 m-85 -56.94 -55.79 30.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.8 -55.22 47.23 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.27 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 33.9 Cg_exo -60.1 -36.84 87.66 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.235 1.957 . . . . 0.0 112.819 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.3 -44.14 95.66 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -65.14 -43.49 91.68 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.327 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -57.65 -40.75 80.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.12 -53.98 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.8 p -89.2 -36.46 15.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.758 -174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 -21.6 10.12 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 88.5 m -120.61 136.98 25.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -86.86 20.48 1.21 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.989 2.459 . . . . 0.0 113.222 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 19.3 m120 -79.84 80.62 6.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.404 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.29 137.96 54.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.599 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 32.8 mmmt -124.17 147.44 47.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.282 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.05 87.77 5.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.426 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 pt -118.91 144.18 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.173 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 40.88 38.4 0.65 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.731 0.812 . . . . 0.0 112.462 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 34.1 ttpt 58.93 48.45 10.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.939 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 t -150.7 123.67 8.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.457 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 2.0 m -86.2 100.68 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -114.74 153.71 29.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.227 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 72.8 m -107.67 154.39 21.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.893 -174.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.522 ' HE1' ' HG2' ' A' ' 30' ' ' LYS . 70.7 m-85 -84.5 4.39 32.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.86 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 176.04 49.21 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.965 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 21.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.277 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 15' ' ' ASP . 2.8 mm? . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.97 81.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.361 1.038 . . . . 0.0 112.517 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 84.1 m 54.75 36.68 26.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.656 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -83.71 -23.96 31.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.91 131.06 1.27 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.38 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 m -59.9 -38.32 81.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 110.284 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.3 pttm -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.485 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HB3' HD12 ' A' ' 8' ' ' LEU . 12.7 m-20 -83.39 -36.93 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.901 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 72.2 m -62.09 -29.64 70.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 22.1 m-30 -55.73 -33.67 64.46 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.716 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.48 -58.47 8.57 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.7 Cg_exo -59.5 -36.92 92.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.856 1.704 . . . . 0.0 112.038 176.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.5 t -60.27 -46.99 87.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.453 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 5.6 tmm_? -62.37 -43.67 98.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.809 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -64.8 -21.43 66.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.219 0.533 . . . . 0.0 110.798 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -89.53 -66.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 26' ' ' CYS . 13.3 t -103.31 -4.06 24.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 21' ' ' ARG . . . 98.0 -38.86 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.137 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 41' ' ' CYS . 92.7 m -95.15 138.52 21.97 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 87.8 Cg_endo -82.27 -17.54 7.74 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.461 2.108 . . . . 0.0 113.823 -174.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.99 105.48 0.32 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.537 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -146.36 155.45 42.62 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HB2' ' OH ' ' A' ' 39' ' ' TYR . 22.2 ttmm -130.2 137.96 50.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.485 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.7 t -83.95 114.7 21.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.64 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.537 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.8 pp -132.96 143.05 40.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.141 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 54.81 38.72 30.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.247 0.546 . . . . 0.0 109.821 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 62.64 24.91 14.83 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.039 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.9 p -139.1 130.87 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.979 0.418 . . . . 0.0 110.941 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.5 m -77.16 96.25 4.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.849 0.357 . . . . 0.0 110.596 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -94.48 132.78 38.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.19 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 63.0 m -79.05 148.14 32.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.525 ' OH ' ' HB2' ' A' ' 30' ' ' LYS . 59.8 m-85 -78.38 -15.8 58.31 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.5 -178.28 17.05 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.289 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 26' ' ' CYS . 6.3 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.671 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' CYS . 6.7 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 81.41 0.01 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.843 0.714 . . . . 0.0 112.002 -174.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 96.8 m 60.84 44.07 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.141 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -77.73 -27.85 50.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.01 123.41 0.7 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.237 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 m -57.86 -47.3 83.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 52.1 pttt -64.06 -24.28 67.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.108 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.14 -35.22 61.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.414 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 79.8 m -85.49 -18.08 34.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.896 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.1 m-30 -55.23 -44.06 75.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.542 0.21 . . . . 0.0 111.522 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.16 -53.6 46.29 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 77.3 Cg_exo -51.66 -43.34 51.43 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.305 2.003 . . . . 0.0 112.787 174.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 22.5 m -65.5 -39.3 91.72 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.731 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -58.62 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -63.17 -28.79 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.861 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -77.67 -63.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 p -108.48 -30.12 8.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.31 -47.06 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.9 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 57.4 m -94.93 144.31 27.6 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 122.612 -0.346 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -86.47 22.32 0.96 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.146 2.564 . . . . 0.0 113.017 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.94 108.25 16.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.56 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -148.8 158.22 44.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.985 0.421 . . . . 0.0 111.996 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -146.79 147.42 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 26.4 p -89.35 119.0 29.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.034 0.445 . . . . 0.0 110.895 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.5 mp -100.63 95.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.1 p30 43.15 17.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.884 1.674 . . . . 0.0 115.292 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 169.85 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.02 0.528 . . . . 0.0 110.06 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -112.26 128.78 56.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.195 0.522 . . . . 0.0 111.983 -171.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 92.0 m -75.12 99.26 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.003 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -85.82 126.58 34.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.153 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.39 148.07 32.13 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.184 176.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -79.82 23.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.91 70.64 0.99 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.916 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 36.6 t . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.284 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' CYS . 20.5 tp . . . . . 0 C--O 1.237 0.399 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 82.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.469 -173.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 7.1 t 58.57 44.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.972 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 m -77.56 -21.38 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 109.356 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.9 127.19 0.91 Allowed Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.38 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -61.3 -48.26 82.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 21.6 pttp -62.97 -32.36 73.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 110.508 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.39 -32.25 73.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.691 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 11.5 t -90.61 -20.02 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.143 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.1 m-30 -57.34 -45.79 83.97 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -61.33 -55.32 44.59 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 119.643 -0.217 . . . . 0.0 111.423 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 44.2 Cg_exo -58.75 -36.09 97.63 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.162 1.908 . . . . 0.0 112.523 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 41.9 t -63.75 -47.52 80.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.952 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -68.53 -26.36 65.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.222 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -80.47 -63.28 1.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.424 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -91.1 -31.74 16.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -171.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.96 -19.96 24.7 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -171.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -118.99 135.93 24.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.74 24.04 0.78 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.102 2.534 . . . . 0.0 113.51 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -86.9 96.2 10.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -134.64 165.11 25.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.685 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -156.96 149.38 23.22 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 29.4 p -87.79 113.74 23.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.882 0.372 . . . . 0.0 110.193 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.5 mp -102.62 111.75 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 174.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.0 m120 -19.04 80.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.506 1.754 . . . . 0.0 114.127 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 86.6 tttt 157.31 -52.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.483 1.115 . . . . 0.0 109.01 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 p -157.89 163.36 37.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.031 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 11.9 p -91.25 125.45 36.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -117.64 144.5 45.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 62.1 m -90.78 150.62 21.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.218 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.26 -8.92 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.404 0.621 . . . . 0.0 109.867 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.75 -174.85 23.86 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.266 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.481 178.617 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 mp . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.31 0.1 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 83.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.927 0.767 . . . . 0.0 112.759 -172.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.838 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 4.1 t 61.96 37.91 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.715 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -79.28 -21.52 45.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.619 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.86 135.79 2.58 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.374 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 m -64.86 -42.59 94.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.72 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 68.0 mttm -73.29 -28.87 62.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.123 0.487 . . . . 0.0 109.803 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.51 -32.25 72.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.338 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 77.0 m -80.48 -29.76 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.629 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.9 m-30 -55.72 -41.44 73.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.636 0.255 . . . . 0.0 111.532 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.76 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.22 -58.54 16.88 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.76 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 36.7 Cg_exo -61.89 -33.27 84.68 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.108 1.872 . . . . 0.0 112.253 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 52.4 t -62.53 -43.68 98.21 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.47 -39.13 93.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.174 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.89 -33.48 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.05 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -84.07 -58.9 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.323 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -91.46 -32.06 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -171.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 -20.99 37.55 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.415 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 73.2 m -100.63 138.49 20.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 110.348 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 45.1 Cg_endo -91.32 18.16 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.895 2.397 . . . . 0.0 113.661 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -104.04 118.02 35.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.012 0.435 . . . . 0.0 110.804 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -149.79 174.38 12.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.39 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -148.88 142.72 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.838 ' HB2' ' HA ' ' A' ' 10' ' ' CYS . 22.2 p -99.34 131.29 45.46 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.159 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 pt -113.12 152.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 171.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 29.1 t-20 -67.31 79.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.032 0.444 . . . . 0.0 110.658 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 33' ' ' ASN . 42.0 mttt 169.01 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 125.286 1.434 . . . . 0.0 108.979 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -163.2 166.5 23.24 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.81 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 57.5 m -87.91 118.74 27.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 172.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -105.96 161.84 14.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.758 0.314 . . . . 0.0 110.282 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.0 m -129.63 153.31 48.22 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -87.59 28.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.62 -63.9 4.14 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -165.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.538 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 10' ' ' CYS . 4.2 mm? . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB2' ' HZ3' ' A' ' 34' ' ' LYS . . . -55.68 79.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.244 0.965 . . . . 0.0 111.875 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 t 50.01 52.92 13.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.999 -172.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 6.5 m -78.19 -6.39 54.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.781 0.8 . . . . 0.0 109.393 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.58 130.12 2.35 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.5 -50.68 68.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -59.65 -30.47 68.76 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.62 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.95 -45.88 69.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.274 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 29.3 t -82.43 -19.74 38.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.036 -174.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -53.24 -41.25 65.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.26 -57.05 11.47 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.0 Cg_exo -56.83 -40.05 87.01 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.875 1.717 . . . . 0.0 112.412 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 30.4 t -62.15 -44.35 96.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.906 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.51 -39.89 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.81 -33.41 75.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.211 0.529 . . . . 0.0 110.123 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -73.91 -65.13 0.87 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 26' ' ' CYS . 11.1 t -109.0 0.56 20.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.47 -34.69 4.08 Favored Glycine 0 C--O 1.23 -0.145 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.015 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 28' ' ' ASN . 40.6 t -83.21 124.38 76.26 Favored Pre-proline 0 C--N 1.321 -0.664 0 C-N-CA 122.379 0.271 . . . . 0.0 110.394 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -87.16 13.67 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.908 2.405 . . . . 0.0 112.176 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 16.6 m120 -103.01 103.3 13.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -177.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -134.49 159.76 40.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.788 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 40.2 mmtm -140.59 155.23 46.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.43 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 10' ' ' CYS . 28.1 p -101.99 100.51 10.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.496 -173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.1 pp -133.98 142.12 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 53.88 44.39 29.54 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 9.1 mtpm? 55.4 23.66 5.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.57 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -129.97 126.74 38.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.73 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.46 94.81 6.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 172.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -92.23 124.56 36.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -84.69 156.59 21.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.414 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.598 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 7.6 m-30 -78.64 -2.28 38.32 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.068 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.73 41.1 93.93 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.754 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.51 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? . . . . . 0 C--O 1.233 0.184 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.2 82.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.928 0.768 . . . . 0.0 112.193 -173.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LEU . 65.8 m 50.41 49.96 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.794 -176.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -78.0 -33.34 51.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.456 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.8 129.69 1.29 Allowed Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.19 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.2 t -54.56 -41.59 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.509 . . . . 0.0 109.832 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 20.6 ptmt -61.76 -25.3 67.37 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.477 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.897 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -81.29 -30.06 34.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.412 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.9 m-30 -45.34 -62.4 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -60.09 -52.03 76.26 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 75.2 Cg_exo -54.43 -36.35 87.57 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.516 2.144 . . . . 0.0 113.176 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 65.2 m -69.7 -35.59 75.21 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.899 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.1 -42.46 98.56 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.19 -45.57 92.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.017 177.371 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -64.98 -59.43 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.027 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.971 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 40.9 p -119.86 -15.15 8.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -166.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.16 -29.72 11.5 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.953 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 87.2 m -94.58 125.25 52.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.709 0.29 . . . . 0.0 110.246 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -88.95 17.99 1.54 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.159 2.573 . . . . 0.0 114.671 -171.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -95.93 140.63 30.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.883 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.631 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -160.72 142.83 12.56 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -125.94 148.96 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.9 t -100.99 130.87 47.05 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.191 -172.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.0 mp -99.67 152.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 171.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -63.51 54.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' ILE . 5.7 ptpp? 174.26 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.49 0.716 . . . . 0.0 110.491 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -159.57 138.14 10.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.621 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.3 t -79.62 122.72 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.76 125.36 51.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 -170.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.85 158.02 29.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.992 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.68 12.72 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -169.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.3 136.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.971 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 6.6 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.955 -0.545 . . . . 0.0 109.662 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' CYS . 70.1 mt . . . . . 0 CA--C 1.514 -0.406 0 CA-C-O 120.573 0.225 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.259 0.974 . . . . 0.0 111.743 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 45.5 m 55.73 47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.512 -175.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.64 -4.98 51.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.131 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.78 138.3 4.06 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -65.5 -47.62 75.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.466 0.633 . . . . 0.0 110.097 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.731 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 63.2 pttt -71.06 -23.11 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.394 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.37 -29.09 57.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 109.733 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.92 -22.27 22.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.093 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.731 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.2 m-30 -52.39 -57.1 10.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.23 -54.39 53.37 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 70.2 Cg_exo -54.59 -44.45 49.44 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.362 2.041 . . . . 0.0 112.721 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.89 -41.63 98.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.29 -38.97 92.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.017 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -64.74 -37.57 88.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -74.49 -53.2 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.444 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -125.73 9.12 7.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 -17.52 10.99 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.976 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 47.6 t -84.75 122.43 74.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.587 0.232 . . . . 0.0 110.985 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.06 14.45 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.816 2.344 . . . . 0.0 112.371 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 9.3 m120 -113.11 99.51 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.266 0.555 . . . . 0.0 110.855 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.87 125.38 43.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.657 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -121.67 119.44 31.82 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.72 105.86 14.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.135 0.493 . . . . 0.0 110.157 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.9 pp -121.49 143.83 32.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.728 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 59.24 27.9 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 55.9 mtmt 70.16 24.41 4.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.198 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 m -135.96 132.78 36.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.78 111.62 6.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -109.02 119.18 38.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.41 146.35 24.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.266 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' ASN . 45.1 m-85 -78.5 -7.94 58.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.455 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.78 -45.99 3.57 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.451 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 68.6 m . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.014 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' CYS . 79.4 mt . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.313 0.102 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.19 83.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.985 0.803 . . . . 0.0 112.162 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 36.4 m 59.38 52.23 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.016 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 8' ' ' LEU . 37.0 p -80.87 -3.8 52.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.397 169.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 15' ' ' ASP . . . 117.97 126.94 3.73 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -174.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.9 m -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.208 0.504 . . . . 0.0 110.07 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.68 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 49.1 pttt -64.21 -23.78 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 12' ' ' GLY . 31.5 t70 -74.36 -48.31 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.524 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 73.0 m -59.44 -28.75 67.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.37 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.8 m-30 -51.47 -40.94 60.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.08 -59.64 10.72 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 13.6 Cg_exo -69.84 -26.43 27.21 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.056 1.837 . . . . 0.0 111.33 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.73 -53.15 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 41.7 ttt180 -62.1 -49.05 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -55.28 -38.57 68.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.175 -176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -100.81 -48.95 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 p -84.31 -26.7 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.02 -173.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -23.33 34.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.196 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.55 133.54 21.82 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 120.635 0.255 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 29.8 Cg_endo -90.91 25.13 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.29 2.66 . . . . 0.0 113.476 -175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.79 109.11 19.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.106 0.479 . . . . 0.0 111.412 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.617 ' H ' ' HE1' ' A' ' 17' ' ' TYR . . . -139.47 167.21 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.349 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -160.53 140.61 11.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.2 t -93.11 103.0 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.502 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 37' ' ' LYS . 1.1 pp -118.22 129.52 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 177.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 61.36 34.81 18.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 109.986 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 84.1 mttt 68.23 6.1 5.08 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.647 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -101.84 103.06 13.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.9 t -83.35 95.6 8.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.532 ' HG2' HD11 ' A' ' 32' ' ' ILE . 38.6 pttt -107.38 159.67 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.205 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.8 142.33 34.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.236 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -79.51 -7.09 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.958 0.408 . . . . 0.0 110.847 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.65 -178.48 52.44 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.998 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.35 -179.331 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' A' ' 11' ' ' THR . 16.0 tp . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.607 0.717 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 86.26 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.156 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m 65.3 37.36 6.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.759 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.549 ' HB ' HD12 ' A' ' 8' ' ' LEU . 27.6 m -78.86 -31.45 45.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . 172.88 127.9 1.01 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 p -63.13 -41.47 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.16 0.48 . . . . 0.0 110.969 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.6 ptpt -62.46 -29.45 70.54 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 110.321 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.441 ' HB3' HD11 ' A' ' 8' ' ' LEU . 10.7 m-20 -68.96 -46.73 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.785 173.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.16 -33.3 69.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.526 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.2 m-30 -52.77 -40.58 63.29 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.57 -58.54 9.85 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 27.0 Cg_exo -63.35 -31.23 73.19 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.143 1.895 . . . . 0.0 111.921 177.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.7 t -62.63 -47.38 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.053 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.625 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 50.9 ttp180 -65.16 -39.22 92.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.633 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.58 -35.1 76.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.79 -61.87 1.72 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.9 t -107.01 1.11 24.13 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 21' ' ' ARG . . . 87.71 -37.21 3.26 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.621 174.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.1 m -102.77 115.8 63.66 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.625 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 58.6 Cg_endo -80.68 28.13 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.452 2.768 . . . . 0.0 114.077 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.5 HD22 ' HD2' ' A' ' 39' ' ' TYR . 5.7 p-10 -99.48 108.24 20.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.517 0.675 . . . . 0.0 110.518 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -141.46 156.12 45.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.591 -175.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -132.0 128.66 38.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 14.3 p -81.74 142.72 32.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.509 0.671 . . . . 0.0 111.737 -171.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' LYS . 26.7 pt -124.24 158.57 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -65.29 74.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.256 0.551 . . . . 0.0 111.519 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' ILE . 39.8 ttmt 172.5 -47.5 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.56 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.6 m -160.6 168.88 24.04 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 36.0 m -88.25 105.11 17.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.35 109.49 15.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.184 0.516 . . . . 0.0 110.972 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.2 m -81.27 149.23 29.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.339 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.5 ' HD2' HD22 ' A' ' 28' ' ' ASN . 63.9 m-85 -85.17 14.38 5.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.78 -61.09 4.07 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -172.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.182 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 1.1 pt? . . . . . 0 C--O 1.238 0.468 0 CA-C-O 121.307 0.575 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.11 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.0 m 67.83 46.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.686 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -86.43 11.57 12.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.966 0.888 . . . . 0.0 108.947 173.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.18 121.45 3.96 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.236 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -39.29 82.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.304 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 84.8 mttt -75.1 -11.4 60.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.36 -44.64 12.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 75.1 m -61.69 -22.06 65.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.653 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 27' ' ' PRO . 12.1 m-30 -47.61 -40.91 20.65 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 123.205 0.316 . . . . 0.0 111.381 173.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.734 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -69.13 -57.84 6.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.916 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 78.3 Cg_exo -52.83 -45.9 37.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.429 2.086 . . . . 0.0 112.907 176.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 87.8 m -64.0 -43.64 95.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.511 0.196 . . . . 0.0 110.942 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 25.0 ttt180 -61.87 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -65.78 -38.54 89.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.626 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -75.92 -53.95 7.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.999 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.709 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 45.2 p -110.59 -22.46 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.66 -35.72 4.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.811 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 64.1 m -97.72 123.62 51.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 17' ' ' TYR . 74.1 Cg_endo -75.03 -24.02 13.18 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.733 2.289 . . . . 0.0 113.627 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -56.28 123.04 13.25 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.041 0.448 . . . . 0.0 112.127 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.517 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -152.28 169.84 21.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.732 -176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HE3' ' OH ' ' A' ' 39' ' ' TYR . 38.2 ttmt -149.65 138.08 20.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.81 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 3.2 p -88.36 136.34 33.03 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.171 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -118.73 159.03 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.5 m120 -68.4 74.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.397 0.435 . . . . 0.0 111.257 -175.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 28.3 tptp 168.73 -43.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.202 1.001 . . . . 0.0 109.113 -177.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -162.75 160.51 25.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.1 t -91.53 110.51 21.83 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -103.85 133.79 48.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 111.105 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.2 m -79.9 162.88 24.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.4 ' OH ' ' HE3' ' A' ' 30' ' ' LYS . 30.0 m-85 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.706 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.34 143.02 13.87 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.049 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 34.9 t . . . . . 0 C--O 1.249 1.029 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.9 mp . . . . . 0 C--O 1.234 0.238 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 82.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.885 0.741 . . . . 0.0 111.58 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.8 m 57.77 47.31 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.887 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -80.21 -14.58 58.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.292 173.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.15 125.08 1.48 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.384 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 m -57.41 -40.29 77.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.26 0.53 . . . . 0.0 110.96 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 17' ' ' TYR . 67.8 mttm -76.4 -15.59 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.742 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.96 -29.25 43.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 59.9 m -79.39 -21.33 45.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.021 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 14' ' ' LYS . 3.8 m-30 -45.01 -55.03 5.92 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.565 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.74 -56.66 30.43 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.297 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 66.4 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.248 1.966 . . . . 0.0 112.928 177.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.8 m -66.1 -37.34 85.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.287 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -68.57 -39.88 80.81 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.76 -45.5 82.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.045 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.66 -54.61 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.423 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -90.8 -39.87 12.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.37 -16.8 24.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.411 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.3 m -112.8 137.73 21.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.691 0.282 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -82.9 17.83 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.984 2.456 . . . . 0.0 113.387 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -79.6 100.63 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.776 0.322 . . . . 0.0 110.202 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.6 154.85 45.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.428 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -151.14 156.45 41.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.595 ' CB ' ' HA ' ' A' ' 10' ' ' CYS . 16.2 p -96.27 147.98 23.22 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.159 -177.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -122.86 165.23 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -69.54 61.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -171.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 177.21 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.679 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -161.41 178.79 8.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.094 0.474 . . . . 0.0 111.331 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 58.3 m -91.97 136.55 33.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 175.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -111.43 143.46 42.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.3 m -104.38 144.42 31.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.428 ' N ' ' HD1' ' A' ' 39' ' ' TYR . 1.3 m-30 -79.21 -18.61 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.411 0.624 . . . . 0.0 109.872 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.92 -164.37 12.35 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.255 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.751 -179.698 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.45 HD12 ' HB ' ' A' ' 11' ' ' THR . 3.0 mm? . . . . . 0 C--O 1.235 0.317 0 CA-C-O 119.985 -0.055 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.37 82.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.05 0.844 . . . . 0.0 111.472 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.7 m 54.5 47.49 22.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.837 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.45 ' HB ' HD12 ' A' ' 8' ' ' LEU . 14.8 m -86.19 -13.52 46.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.265 173.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.01 124.03 1.84 Allowed Glycine 0 N--CA 1.44 -1.05 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.539 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -56.2 -46.26 79.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.608 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.1 ptpt -62.67 -26.33 68.59 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.202 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.67 -43.7 46.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.342 0.591 . . . . 0.0 109.703 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.6 t -81.68 -8.84 59.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.937 -175.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.608 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 7.6 m-30 -44.36 -53.67 6.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.578 0.227 . . . . 0.0 111.531 173.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.49 -57.12 24.25 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 59.6 Cg_exo -53.89 -45.99 36.95 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.318 2.012 . . . . 0.0 112.776 178.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.21 -46.88 88.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.358 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 21' ' ' ARG . 31.3 ttt180 -64.75 -40.14 94.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.898 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -64.7 -39.23 93.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.628 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.87 -55.25 5.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -92.61 -40.43 10.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.927 0.394 . . . . 0.0 111.956 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.63 -17.64 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.443 -172.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 44.5 t -86.34 127.05 62.68 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.662 0.267 . . . . 0.0 110.916 -178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.76 10.64 3.61 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.848 2.365 . . . . 0.0 112.817 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -116.52 111.57 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.052 0.453 . . . . 0.0 110.72 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.18 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -133.93 129.62 36.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.38 120.47 26.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.234 0.54 . . . . 0.0 111.184 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.528 HD11 ' HG3' ' A' ' 37' ' ' LYS . 40.5 pt -132.16 140.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.266 176.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 35' ' ' SER . 16.8 m120 49.26 49.66 19.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.43 0.456 . . . . 0.0 110.274 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.671 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 32.2 mtmm 70.99 -28.65 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.126 0.97 . . . . 0.0 112.265 -176.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 33' ' ' ASN . 33.0 t -81.67 124.63 29.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.862 0.363 . . . . 0.0 111.675 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.73 100.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 168.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.528 ' HG3' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -95.25 124.29 39.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 0.0 110.648 -175.151 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.9 m -89.28 144.75 25.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.155 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -79.25 1.13 25.87 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.51 92.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.934 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 26.5 m . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.21 -173.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.0 mp . . . . . 0 C--O 1.236 0.377 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.07 83.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.183 -174.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.8 m 57.04 49.58 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.633 -176.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -78.01 -10.07 59.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.671 171.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.18 131.94 3.71 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.9 176.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 p -62.6 -42.05 99.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.509 0.655 . . . . 0.0 109.6 178.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.8 ptmm? -52.14 -36.0 50.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.085 173.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.01 -40.58 24.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.623 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.574 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 98.8 m -62.3 -28.09 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.627 178.458 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.8 m-30 -57.54 -33.79 68.46 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.559 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.42 -61.45 5.94 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 3.8 Cg_exo -73.93 -26.43 13.2 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.059 1.84 . . . . 0.0 110.614 -177.093 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.625 ' O ' HG22 ' A' ' 24' ' ' THR . 36.4 t -61.42 -57.58 11.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 2.7 tmt_? -59.39 -42.92 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.96 -33.84 75.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.592 -178.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 -60.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.773 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' CYS . 14.9 t -93.23 -5.07 50.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.964 -170.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.25 -43.25 2.14 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.435 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 33.6 m -103.9 133.29 20.34 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.071 0.462 . . . . 0.0 111.127 -178.106 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -84.96 35.99 0.55 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.762 2.974 . . . . 0.0 113.182 -178.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.14 101.34 10.75 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.115 0.483 . . . . 0.0 110.707 177.165 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.56 151.8 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.47 -179.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -145.07 137.86 26.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 p -94.43 119.44 33.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.607 0.717 . . . . 0.0 110.091 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.41 131.04 57.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.84 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.71 36.23 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.018 0.437 . . . . 0.0 110.049 -177.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 67.4 12.51 8.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.902 -178.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.6 t -110.31 110.69 21.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.0 t -82.66 95.55 7.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -99.75 126.23 45.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.194 -172.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.1 m -79.76 145.3 32.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.533 172.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.94 9.78 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.069 0.461 . . . . 0.0 110.425 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 81.93 -148.27 27.05 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.5 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.324 178.778 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' CYS . 5.3 mp . . . . . 0 C--O 1.235 0.29 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.38 85.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.742 0.651 . . . . 0.0 111.468 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 20.9 m 54.78 47.03 23.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.97 -175.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -78.48 -8.24 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 170.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.55 119.38 1.95 Allowed Glycine 0 N--CA 1.434 -1.435 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.8 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -60.8 -34.54 74.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 66.7 mttm -56.26 -40.13 73.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.419 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.05 -48.98 55.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.683 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 76.3 m -67.93 -18.18 64.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.688 -174.526 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.2 m-85 -52.35 -46.47 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.598 0.237 . . . . 0.0 111.05 176.149 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.06 -58.15 15.57 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.226 -176.031 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.3 Cg_exo -60.32 -38.91 71.82 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.75 . . . . 0.0 112.423 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' O ' HG22 ' A' ' 24' ' ' THR . 47.0 t -65.63 -47.03 76.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.346 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -63.38 -41.96 98.81 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -65.66 -33.83 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.534 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.59 -61.52 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 20' ' ' CYS . 14.8 t -95.74 -30.27 13.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 -171.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.89 -41.54 1.64 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.676 -177.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 61.0 m -105.82 139.45 20.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.755 -0.262 . . . . 0.0 110.686 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -83.47 26.47 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.252 2.634 . . . . 0.0 113.042 -177.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -76.45 78.52 3.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.16 130.86 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -125.24 129.18 49.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -79.45 120.88 24.48 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.68 0.752 . . . . 0.0 110.341 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 35' ' ' SER . 24.9 pt -103.44 163.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 170.182 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -45.23 -35.88 3.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -170.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -100.12 -25.87 14.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' HG12 ' A' ' 32' ' ' ILE . 25.1 m -159.07 165.09 34.69 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.72 -0.612 . . . . 0.0 111.955 -168.273 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.7 m -91.16 105.43 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 169.192 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -92.04 117.09 29.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.156 -173.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.5 m -85.43 143.46 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.707 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.53 1.02 23.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.707 0.289 . . . . 0.0 111.67 -174.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.28 105.14 0.19 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.191 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 38.8 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.863 -177.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 8' ' ' LEU . 5.3 mp . . . . . 0 CA--C 1.508 -0.665 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 34' ' ' LYS . . . -61.73 77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.558 -175.229 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 36.2 m 61.02 50.62 4.94 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.797 -171.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -78.85 -16.09 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.149 172.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.16 139.32 4.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.0 -179.033 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 p -62.55 -49.93 73.34 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.638 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 29.5 mmtp -61.43 -40.5 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.805 178.63 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.2 -33.33 75.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.025 -178.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.86 -20.69 23.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.891 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.638 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 11.3 m-85 -50.06 -50.29 48.44 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.753 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.08 -57.75 21.78 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.155 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 36.5 Cg_exo -60.49 -40.31 58.18 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.171 1.914 . . . . 0.0 112.673 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.02 -44.79 94.37 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.656 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 60.2 ttt180 -66.9 -38.83 87.01 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.467 177.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.648 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -86.65 -58.15 2.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.57 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -95.22 -30.99 13.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -173.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.93 -8.96 50.8 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -171.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.1 t -91.16 116.54 66.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.724 0.297 . . . . 0.0 110.213 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 87.6 Cg_endo -85.39 12.74 2.97 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.781 2.321 . . . . 0.0 113.282 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -120.68 118.56 30.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 0.0 110.493 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.555 ' HB1' ' SG ' ' A' ' 36' ' ' CYS . . . -145.32 156.27 43.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.571 -178.584 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 61.9 tttm -150.59 139.39 20.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -88.11 132.77 34.19 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.982 -176.751 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 pt -137.86 139.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.537 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 47.26 40.83 11.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.656 0.382 . . . . 0.0 111.803 -178.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.644 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 28.3 mtpp 54.89 47.27 22.63 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.019 -174.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -151.78 125.6 9.07 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 170.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.555 ' SG ' ' HB1' ' A' ' 29' ' ' ALA . 49.4 t -76.39 113.03 13.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.461 -178.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 30' ' ' LYS . 13.1 ptmm? -89.59 135.68 33.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m -104.12 145.76 29.72 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -78.09 0.37 24.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.74 -172.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.65 39.86 93.98 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.796 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.469 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 80.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.236 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.509 -0.613 0 CA-C-O 121.496 0.665 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 34' ' ' LYS . . . -60.69 82.92 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.279 -172.681 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 12' ' ' GLY . 92.3 m 60.86 51.35 4.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.289 -175.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -79.79 21.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.281 0.562 . . . . 0.0 110.782 174.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 100.64 130.67 7.11 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -173.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -59.35 -45.73 90.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.023 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.6 pttp -63.92 -14.86 56.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -86.7 -57.07 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.853 0.358 . . . . 0.0 110.044 175.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t -69.09 -15.9 63.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.238 -170.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.6 m-85 -50.75 -43.66 58.25 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.543 173.146 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.02 -58.62 8.94 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.776 -176.005 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 49.5 Cg_exo -57.47 -37.77 96.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 122.03 1.82 . . . . 0.0 112.669 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.3 t -62.79 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.44 -37.74 87.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 175.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 18' ' ' ALA . 8.6 mtpm? -62.73 -38.59 91.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.28 178.031 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 19' ' ' PRO . 23.9 mt-30 -82.34 -52.58 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.805 -177.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.899 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 80.7 p -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 -14.88 50.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.591 -173.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.92 129.21 25.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -82.64 19.89 1.22 Allowed 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.995 2.463 . . . . 0.0 113.09 -176.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -89.77 91.6 8.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.958 0.408 . . . . 0.0 111.005 -178.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.35 166.26 18.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 31' ' ' CYS . 49.4 tttm -159.53 161.04 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.624 177.169 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.8 t -96.94 118.36 33.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.823 179.181 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 pt -140.9 140.98 32.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.178 172.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 52.3 42.6 31.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.254 177.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 59.7 mttp 54.38 36.93 26.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.996 -177.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -148.42 148.73 30.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.9 t -90.71 128.22 36.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.803 0.335 . . . . 0.0 110.127 178.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -119.65 153.6 35.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.217 178.099 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.05 150.51 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -78.94 2.63 19.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 111.671 -175.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.48 130.65 6.76 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.247 177.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.899 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 22.7 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -179.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.3 pp . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.628 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.65 83.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.627 -175.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 1.3 m 53.22 58.35 5.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.713 -172.542 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 15' ' ' ASP . 8.8 t -78.04 6.26 8.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.31 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.61 137.03 8.99 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 p -55.68 -46.22 77.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.191 0.495 . . . . 0.0 111.202 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.1 ptpp? -64.74 -21.18 66.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -178.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.606 ' HB3' HG23 ' A' ' 11' ' ' THR . 13.7 t70 -88.71 -40.36 13.31 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 84.4 m -60.14 -26.82 66.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 20.6 m-30 -53.67 -37.01 62.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.57 176.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.91 -57.95 8.77 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.9 -177.055 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 66.2 Cg_exo -54.35 -44.34 50.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.236 1.958 . . . . 0.0 112.3 175.49 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -59.24 -44.51 92.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.541 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 63.1 ttt180 -65.0 -42.92 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.451 178.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.49 -22.22 64.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -97.45 -52.71 3.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -91.18 -31.52 16.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.849 0.357 . . . . 0.0 111.71 -174.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 -9.79 57.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.426 -171.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.0 m -114.9 130.24 24.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 27.6 Cg_endo -89.41 28.14 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.375 2.716 . . . . 0.0 114.227 -172.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' ND2' ' HB2' ' A' ' 39' ' ' TYR . 19.5 p-10 -112.89 108.95 18.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.565 0.698 . . . . 0.0 112.024 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -143.64 162.24 36.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.296 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -140.97 130.17 23.51 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -82.79 115.31 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.987 -178.697 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 pt -132.83 141.26 45.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.713 176.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 54.77 34.71 22.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.477 0.485 . . . . 0.0 110.012 -174.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 56.8 mtpt 64.78 14.87 9.46 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.044 -178.53 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 14.4 m -116.34 131.31 56.98 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 67.7 m -75.12 84.11 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 109.954 177.29 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 122.77 29.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.959 -175.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 78.1 m -78.87 153.01 30.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 -177.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.465 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 96.9 m-85 -79.41 -2.5 42.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.434 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 141.45 10.91 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.841 178.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.31 -179.196 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.438 ' HA ' ' HA ' ' A' ' 23' ' ' GLN . 5.6 m-90 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.961 0.41 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.642 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 26.6 p -90.26 128.31 36.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.865 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 p -84.08 -29.8 26.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.195 0.522 . . . . 0.0 110.499 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -85.79 52.11 2.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.35 0.595 . . . . 0.0 110.4 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.835 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 81.5 m -137.28 99.03 3.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.668 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.6 tp -109.49 -71.25 0.77 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.34 97.91 2.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.707 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' ' 5' ' ' CYS . 5.9 mp -101.68 43.95 1.04 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.541 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 83.68 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.952 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.5 m 60.53 47.79 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.534 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 m -78.99 -13.97 59.48 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 171.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.57 123.77 1.93 Allowed Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.582 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.0 m -60.25 -44.26 95.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 117.273 0.537 . . . . 0.0 109.974 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 98.1 mttt -64.44 -26.6 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.36 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.14 -41.62 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -77.34 -15.05 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.063 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.4 m-30 -52.38 -46.78 66.37 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.608 0.242 . . . . 0.0 111.458 176.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.676 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.21 -55.06 22.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.575 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.835 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 79.9 Cg_exo -50.2 -46.42 28.7 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.592 2.195 . . . . 0.0 112.975 174.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.93 -41.37 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 38.9 ttm180 -59.29 -45.94 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.272 0.558 . . . . 0.0 110.167 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.642 ' HD3' ' HA ' ' A' ' 2' ' ' CYS . 48.4 tttp -73.54 -17.51 61.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.311 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.574 ' C ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -90.02 -55.64 3.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.828 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.563 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 73.0 p -102.35 -28.75 12.06 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 -16.69 29.9 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -172.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 90.5 m -117.58 123.12 30.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.685 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 45.6 Cg_endo -83.72 27.67 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.301 2.667 . . . . 0.0 113.738 -174.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -106.23 108.36 19.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.785 0.326 . . . . 0.0 110.893 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.42 163.88 35.81 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.728 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -144.89 143.09 30.4 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 23.0 p -84.07 109.23 17.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.618 0.723 . . . . 0.0 110.913 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.607 HD11 ' HE2' ' A' ' 37' ' ' LYS . 15.2 pt -144.26 155.66 15.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 10.0 t30 63.8 21.91 12.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 122.134 0.969 . . . . 0.0 109.641 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 66.39 28.92 9.57 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.921 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.3 p -151.41 150.53 30.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.475 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 98.3 m -81.89 94.29 7.07 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.904 -0.498 . . . . 0.0 110.315 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.607 ' HE2' HD11 ' A' ' 32' ' ' ILE . 31.7 ttpt -83.24 134.18 34.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.203 -176.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 75.3 m -90.31 148.11 23.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.796 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -82.72 20.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.71 0.29 . . . . 0.0 111.374 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.12 152.42 22.51 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.465 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 37.5 t . . . . . 0 C--O 1.248 0.975 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.883 ' HA ' ' HA ' ' A' ' 23' ' ' GLN . 10.9 m95 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 23' ' ' GLN . 18.1 p -91.32 101.39 14.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.244 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -67.67 -25.35 65.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.721 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.4 m -82.89 6.82 17.2 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.506 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 21.4 m -80.82 72.14 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.17 0.51 . . . . 0.0 111.232 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.64 -65.84 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.803 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -150.01 122.6 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.627 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.0 mm? -128.05 25.68 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.218 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -53.9 81.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.176 0.922 . . . . 0.0 112.746 -171.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.1 m 52.66 45.06 29.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.189 -175.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -78.96 -13.03 60.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.851 0.834 . . . . 0.0 108.837 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.13 134.99 2.89 Favored Glycine 0 N--CA 1.443 -0.858 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.432 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -64.92 -39.3 93.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 0.0 110.373 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 48.1 mmtm -58.22 -38.83 77.59 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.338 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.75 -44.59 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.762 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.25 -32.6 71.3 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.606 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 19.9 m-85 -51.1 -48.22 61.75 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -63.49 -58.09 17.0 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -176.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 65.9 Cg_exo -53.66 -44.68 47.02 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.337 2.025 . . . . 0.0 112.735 177.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.9 t -61.09 -46.36 90.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.692 0.282 . . . . 0.0 110.689 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 47.2 ttt180 -61.9 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.12 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -65.43 -27.25 68.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.736 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.883 ' HA ' ' HA ' ' A' ' 1' ' ' TRP . 8.8 tt0 -80.7 -65.89 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.419 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.5 p -86.0 -32.17 21.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.515 -172.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.07 -21.13 10.36 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -172.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB3' ' ND2' ' A' ' 28' ' ' ASN . 84.4 m -123.41 139.64 32.34 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 120.585 0.231 . . . . 0.0 110.436 -177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 61.4 Cg_endo -89.41 16.68 1.73 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.058 2.506 . . . . 0.0 114.646 -172.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 26' ' ' CYS . 3.3 p30 -81.64 91.77 6.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.465 0.65 . . . . 0.0 111.172 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.624 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -137.85 151.33 47.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.659 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -149.24 145.66 27.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 16.2 p -92.01 108.14 19.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.354 0.597 . . . . 0.0 110.449 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.94 118.32 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.504 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 56.4 47.9 18.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.683 0.614 . . . . 0.0 109.405 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 33.5 mmtp 73.25 -15.07 0.56 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.94 -1.027 . . . . 0.0 112.278 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.9 m -86.72 104.75 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.109 -0.37 . . . . 0.0 110.878 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 49.5 t -64.27 108.12 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -121.53 129.9 53.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 110.574 -173.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.2 m -88.12 146.47 25.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.511 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -79.53 -16.01 56.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.25 0.548 . . . . 0.0 110.014 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.13 -140.69 11.95 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.895 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.361 179.084 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.857 0.361 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.0 p -90.03 125.5 35.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.177 0.513 . . . . 0.0 110.947 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -74.6 -11.89 60.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.8 p -108.61 -95.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.9 m 47.65 65.77 1.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.362 0.601 . . . . 0.0 111.731 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -110.89 -171.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.245 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -82.47 66.43 8.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.565 0.697 . . . . 0.0 111.134 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD12 HG21 ' A' ' 11' ' ' THR . 1.9 mm? -89.76 31.3 0.96 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.17 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.772 0.67 . . . . 0.0 111.747 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.7 m 57.59 45.61 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.98 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 8' ' ' LEU . 15.4 t -79.1 -15.07 58.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 109.132 174.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.62 134.9 2.66 Favored Glycine 0 N--CA 1.443 -0.88 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.178 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.2 m -62.97 -44.27 96.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.9 0.35 . . . . 0.0 110.729 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.3 ptpt -65.38 -21.29 66.66 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.935 0.397 . . . . 0.0 110.565 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -79.05 -52.61 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -64.52 -17.01 63.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.471 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.682 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -53.38 -41.3 65.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.019 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.85 -56.74 13.2 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.974 -176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.9 Cg_exo -56.01 -37.86 95.57 Favored 'Trans proline' 0 C--N 1.359 1.113 0 C-N-CA 121.941 1.76 . . . . 0.0 112.052 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 48.0 t -63.44 -41.66 98.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.448 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 21' ' ' ARG . 26.2 ttm-85 -62.51 -40.87 98.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.936 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -61.74 -39.02 90.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.171 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.98 -55.75 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.093 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 p -99.47 -29.16 12.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -172.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.42 -19.67 31.27 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.604 -0.808 . . . . 0.0 111.227 -172.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.04 128.46 25.98 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 120.828 0.347 . . . . 0.0 110.097 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.29 22.49 0.81 Allowed 'Trans proline' 0 CA--C 1.527 0.134 0 C-N-CA 122.957 2.438 . . . . 0.0 113.699 -174.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.64 93.41 9.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.21 0.529 . . . . 0.0 110.646 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -125.43 149.39 48.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.18 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.58 129.43 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 7.9 t -85.34 111.52 19.98 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.385 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 35' ' ' SER . 13.9 pt -81.33 -178.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 166.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -53.77 97.96 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.875 0.845 . . . . 0.0 112.194 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 68.74 28.28 5.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 114.541 -1.208 . . . . 0.0 112.329 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.5 m -154.92 112.57 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 111.783 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 90.5 m -78.61 93.4 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.217 175.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -89.0 141.92 28.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.538 -175.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.8 m -93.05 146.41 23.66 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.88 -15.7 58.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.978 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.53 -178.29 18.42 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.214 -0.898 . . . . 0.0 109.202 -179.018 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 121.463 0.649 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.0 t -90.41 87.33 6.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -63.9 -27.22 69.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.126 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.512 ' O ' HD13 ' A' ' 8' ' ' LEU . 7.5 p -79.18 -14.45 59.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 111.409 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.3 m -82.02 3.73 25.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.6 tp -79.65 -28.68 40.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 110.739 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -108.65 24.58 12.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.067 0.461 . . . . 0.0 110.63 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 4' ' ' THR . 6.8 mp -115.32 35.82 4.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.595 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.34 83.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.858 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m 62.47 51.67 3.21 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.988 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -78.68 0.29 27.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.712 171.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.28 137.45 7.33 Favored Glycine 0 N--CA 1.442 -0.954 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.271 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 p -57.45 -42.97 83.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.923 0.362 . . . . 0.0 110.195 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -62.56 -22.89 66.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.64 179.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.26 -44.68 13.64 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.3 m -69.56 -16.77 63.48 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.383 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.9 m-30 -50.93 -46.31 60.85 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.998 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -61.97 -58.78 15.78 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.8 Cg_exo -57.37 -43.13 54.79 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.099 1.866 . . . . 0.0 112.649 178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -63.83 -46.87 83.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.337 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.782 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 78.5 ttt180 -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.675 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.6 -36.07 82.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.346 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -84.77 -53.02 5.63 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 p -93.26 -28.42 16.24 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -171.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -12.2 56.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.504 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.36 115.35 25.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.782 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 65.6 Cg_endo -74.69 -20.46 17.62 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.826 2.351 . . . . 0.0 114.32 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.73 103.96 0.19 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.264 0.554 . . . . 0.0 112.39 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -147.19 160.23 42.7 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.598 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -144.36 143.39 30.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.8 p -87.43 107.11 18.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.773 0.797 . . . . 0.0 110.741 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.971 HD11 ' HD3' ' A' ' 37' ' ' LYS . 22.2 pt -118.04 143.67 28.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.343 175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 54.75 36.68 26.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.773 -170.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 59.42 28.67 18.09 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.852 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -139.28 123.95 18.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 84.5 m -72.23 104.02 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.087 0.47 . . . . 0.0 111.059 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.971 ' HD3' HD11 ' A' ' 32' ' ' ILE . 45.8 mtpt -94.07 132.88 38.13 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.13 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -93.07 149.36 21.28 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.806 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -86.72 16.19 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 0.0 110.329 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.4 -112.5 4.36 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -172.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.66 -0.685 . . . . 0.0 109.816 174.124 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 97.4 m95 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.068 0.461 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 38.6 t -82.43 130.0 35.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -177.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -80.22 -64.19 1.24 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.713 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 m -150.66 37.46 0.66 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.735 0.779 . . . . 0.0 109.688 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HA ' ' HB2' ' A' ' 8' ' ' LEU . 25.4 p -83.61 -2.85 56.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.367 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.55 -39.87 30.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -100.62 27.0 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.182 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -115.5 33.13 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.749 -172.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.67 79.43 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.691 0.619 . . . . 0.0 111.158 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.4 t 48.55 48.21 19.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.739 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.405 ' HB ' HD13 ' A' ' 8' ' ' LEU . 4.3 m -89.5 32.18 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 122.123 0.964 . . . . 0.0 109.146 175.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.28 107.01 3.15 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.744 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.8 m -57.5 -30.59 65.25 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 60.6 mttm -56.33 -34.45 66.57 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.081 174.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.684 ' HB3' HD11 ' A' ' 8' ' ' LEU . 7.9 t0 -77.28 -49.18 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 15.9 t -68.12 -10.15 51.89 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.075 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 13.5 m-30 -52.27 -42.75 63.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.684 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.28 -56.12 21.61 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.911 -177.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.0 Cg_exo -54.67 -44.14 52.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 122.236 1.958 . . . . 0.0 112.65 175.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.8 -46.0 91.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.699 0.285 . . . . 0.0 110.386 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -60.44 -44.08 96.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.685 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -67.33 -29.65 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.974 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -82.79 -62.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -87.92 -29.75 20.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.939 0.399 . . . . 0.0 111.445 -173.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.17 -8.92 38.88 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.618 -173.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.8 m -131.51 135.15 26.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.612 0.244 . . . . 0.0 110.48 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -87.92 26.59 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.585 2.856 . . . . 0.0 113.961 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 2.9 m-20 -83.19 93.07 7.58 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.437 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.13 145.27 51.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.94 0.4 . . . . 0.0 111.823 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -148.86 135.12 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.179 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 11.8 p -83.51 123.6 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.36 0.6 . . . . 0.0 111.198 -175.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.4 pp -140.42 144.53 27.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 172.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 55.51 44.81 26.24 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? 46.15 32.2 1.38 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.613 1.165 . . . . 0.0 112.387 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 m -139.76 132.86 29.6 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.7 p -79.92 104.51 10.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.423 0.63 . . . . 0.0 110.417 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 35.3 ttpt -90.68 136.05 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.95 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 80.2 m -91.26 147.27 23.17 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -79.62 22.51 0.46 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.57 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -170.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.743 -0.646 . . . . 0.0 109.529 173.755 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 69.6 m95 . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 p -89.5 113.97 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.732 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -74.82 -16.35 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.685 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' HD21 ' A' ' 8' ' ' LEU . 11.6 p -84.01 -4.38 58.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.635 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.3 m -91.42 76.99 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.331 . . . . 0.0 110.957 -177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.4 pt? -123.57 -42.46 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.462 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' C ' HD22 ' A' ' 8' ' ' LEU . 9.3 t70 -145.97 82.99 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.559 -177.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 10' ' ' CYS . 3.1 mm? -128.73 29.94 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.81 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -56.44 81.06 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.206 0.941 . . . . 0.0 112.598 -169.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 83.9 m 55.67 44.72 25.97 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.315 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -14.65 59.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.772 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.55 134.15 2.66 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.471 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.566 ' O ' ' HD1' ' A' ' 17' ' ' TYR . 30.4 m -60.04 -45.22 93.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' TYR . 21.5 pttp -54.81 -31.07 58.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.334 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.12 -47.34 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.092 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -68.06 -16.66 64.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.163 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 27' ' ' PRO . 2.7 m-85 -53.33 -40.93 65.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.031 173.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.52 -58.17 12.58 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.865 -175.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 33.5 Cg_exo -59.85 -43.67 35.9 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.974 1.783 . . . . 0.0 112.481 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.17 -47.58 85.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.693 -178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 40.7 ttp-105 -68.84 -38.08 79.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.33 -28.73 68.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.394 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.812 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 57.1 p -83.04 -41.29 18.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 112.009 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.61 -19.51 11.4 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -169.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -106.91 127.26 28.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 70.5 Cg_endo -87.92 12.51 2.85 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.892 2.395 . . . . 0.0 112.841 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.5 95.35 3.28 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.43 148.66 49.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.111 0.481 . . . . 0.0 111.911 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -140.97 129.53 22.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.826 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 19.8 t -83.26 120.39 25.77 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.237 -176.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 32' ' ' ILE . 26.2 pt -133.16 138.06 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.632 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 55.67 40.13 30.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 6.1 mptp? 63.06 23.47 13.99 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.767 -178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -140.01 119.34 12.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.169 0.509 . . . . 0.0 110.306 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 71.9 m -72.29 111.07 7.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.755 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -95.76 162.74 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.6 m -110.04 152.12 26.33 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.43 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -80.0 26.92 0.32 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.651 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 126.07 0.27 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.359 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.812 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 21.3 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.509 -0.757 . . . . 0.0 109.121 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.429 ' CD1' ' HG3' ' A' ' 23' ' ' GLN . 15.8 t-105 . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.701 0.286 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.3 p -84.94 114.72 22.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.991 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -77.63 44.76 0.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.556 -177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 ' H ' ' H ' ' A' ' 5' ' ' CYS . 8.7 m -148.04 -21.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.241 0.543 . . . . 0.0 110.133 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.502 ' HA ' HD13 ' A' ' 8' ' ' LEU . 13.5 m -82.12 71.43 9.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.223 -174.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -99.19 -55.09 2.79 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -139.95 92.54 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.636 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 5' ' ' CYS . 6.0 mp -128.33 27.81 5.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.69 83.34 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.099 0.875 . . . . 0.0 111.116 -178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LEU . 16.5 m 59.11 48.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.961 -174.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 20.5 p -78.57 -28.86 45.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.345 171.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.39 132.82 2.12 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.146 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -61.4 -40.28 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.98 0.39 . . . . 0.0 110.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.614 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mttp -63.72 -28.72 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.046 0.45 . . . . 0.0 110.698 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.9 -26.54 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.116 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -83.54 -20.05 34.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.186 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.7 m-30 -49.34 -52.48 27.76 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -59.3 -57.35 27.67 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 49.9 Cg_exo -57.3 -43.4 52.73 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.057 1.838 . . . . 0.0 112.487 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.87 -47.85 84.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 58.3 ttp180 -61.3 -42.55 98.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.611 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -62.52 -35.58 79.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.019 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 1' ' ' TRP . 55.8 tt0 -79.22 -56.35 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.941 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.7 p -97.99 -36.99 9.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.17 -16.6 56.9 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -171.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.92 96.17 48.34 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 84.5 Cg_endo -82.07 19.17 1.28 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 114.627 -169.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -79.54 98.68 6.95 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.339 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -129.68 154.93 46.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.566 -176.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.64 134.75 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.057 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 5.1 t -83.57 113.06 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.521 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.009 HD11 ' HE2' ' A' ' 37' ' ' LYS . 18.8 pt -142.57 154.69 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.33 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 67.2 m-20 58.3 34.46 24.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.602 0.239 . . . . 0.0 110.384 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 5.2 mptp? 73.38 0.64 3.72 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.0 t -134.98 162.55 32.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 0.0 110.676 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 53.1 t -88.7 116.76 27.19 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 1.009 ' HE2' HD11 ' A' ' 32' ' ' ILE . 32.7 ttpt -114.72 123.08 48.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 0.0 110.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 44.4 m -79.7 149.0 31.34 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.282 174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.05 -24.34 47.8 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.66 178.5 52.21 Favored Glycine 0 N--CA 1.439 -1.151 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.447 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.453 177.299 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 t -90.03 125.7 35.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -64.31 -35.46 80.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -86.89 -24.97 24.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.603 0.716 . . . . 0.0 110.271 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 3.2 m -96.68 65.48 2.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.745 -174.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.6 mt -111.73 -64.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.41 . . . . 0.0 110.38 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -129.87 115.3 17.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' CYS . 64.1 mt -116.13 28.23 8.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 -173.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.91 84.13 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.164 0.915 . . . . 0.0 112.287 -177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.639 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 35.5 m 57.99 53.06 7.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.483 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 ' HB3' ' A' ' 15' ' ' ASP . 9.4 t -81.48 17.3 1.42 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.861 0.838 . . . . 0.0 108.774 170.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 96.98 126.08 5.21 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -170.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -59.08 -35.92 74.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.86 0.83 . . . . 0.0 109.611 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 28.8 mmmt -58.75 -37.36 76.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.834 175.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.609 ' HB3' HG23 ' A' ' 11' ' ' THR . 11.4 t70 -81.96 -19.96 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.096 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' SG ' HG22 ' A' ' 11' ' ' THR . 70.6 m -88.29 -25.97 22.53 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.719 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 18.6 m-85 -56.94 -55.79 30.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.8 -55.22 47.23 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.27 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 33.9 Cg_exo -60.1 -36.84 87.66 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.235 1.957 . . . . 0.0 112.819 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.3 -44.14 95.66 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -65.14 -43.49 91.68 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.327 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -57.65 -40.75 80.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -84.12 -53.98 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.8 p -89.2 -36.46 15.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.043 0.449 . . . . 0.0 111.758 -174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.09 -21.6 10.12 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 88.5 m -120.61 136.98 25.76 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -86.86 20.48 1.21 Allowed 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.989 2.459 . . . . 0.0 113.222 -176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 19.3 m120 -79.84 80.62 6.22 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.404 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.29 137.96 54.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.599 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 32.8 mmmt -124.17 147.44 47.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.282 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.05 87.77 5.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.426 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.8 pt -118.91 144.18 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.173 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 40.88 38.4 0.65 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.731 0.812 . . . . 0.0 112.462 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 34.1 ttpt 58.93 48.45 10.98 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.939 -177.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.5 t -150.7 123.67 8.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.457 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 2.0 m -86.2 100.68 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -114.74 153.71 29.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.227 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 72.8 m -107.67 154.39 21.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.893 -174.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.522 ' HE1' ' HG2' ' A' ' 30' ' ' LYS . 70.7 m-85 -84.5 4.39 32.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.86 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 176.04 49.21 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.965 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 21.3 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.277 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.403 ' HA ' ' CG ' ' A' ' 23' ' ' GLN . 54.6 m95 . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.937 0.399 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.1 t -90.62 112.44 24.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -82.85 -55.84 4.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.294 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.4 m -149.98 39.76 0.78 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.855 0.836 . . . . 0.0 110.222 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.6 63.22 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.036 176.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -88.2 55.72 3.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.233 -172.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -84.16 -12.21 55.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.705 0.764 . . . . 0.0 109.855 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 15' ' ' ASP . 2.8 mm? -98.4 25.29 6.43 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.97 81.76 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.361 1.038 . . . . 0.0 112.517 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 84.1 m 54.75 36.68 26.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.656 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -83.71 -23.96 31.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.91 131.06 1.27 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.38 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.4 m -59.9 -38.32 81.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 110.284 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.3 pttm -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.485 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HB3' HD12 ' A' ' 8' ' ' LEU . 12.7 m-20 -83.39 -36.93 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.901 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 72.2 m -62.09 -29.64 70.45 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 22.1 m-30 -55.73 -33.67 64.46 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.716 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.48 -58.47 8.57 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.7 Cg_exo -59.5 -36.92 92.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 121.856 1.704 . . . . 0.0 112.038 176.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.5 t -60.27 -46.99 87.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.453 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 5.6 tmm_? -62.37 -43.67 98.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.809 177.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -64.8 -21.43 66.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.219 0.533 . . . . 0.0 110.798 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.403 ' CG ' ' HA ' ' A' ' 1' ' ' TRP . 42.4 tt0 -89.53 -66.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 26' ' ' CYS . 13.3 t -103.31 -4.06 24.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -170.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 21' ' ' ARG . . . 98.0 -38.86 2.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.137 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 41' ' ' CYS . 92.7 m -95.15 138.52 21.97 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 87.8 Cg_endo -82.27 -17.54 7.74 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.461 2.108 . . . . 0.0 113.823 -174.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.99 105.48 0.32 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.537 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -146.36 155.45 42.62 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HB2' ' OH ' ' A' ' 39' ' ' TYR . 22.2 ttmm -130.2 137.96 50.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.485 177.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.7 t -83.95 114.7 21.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.64 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.537 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.8 pp -132.96 143.05 40.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.141 175.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 54.81 38.72 30.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.247 0.546 . . . . 0.0 109.821 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 62.64 24.91 14.83 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.039 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.9 p -139.1 130.87 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.979 0.418 . . . . 0.0 110.941 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.5 m -77.16 96.25 4.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.849 0.357 . . . . 0.0 110.596 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -94.48 132.78 38.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.19 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 63.0 m -79.05 148.14 32.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.525 ' OH ' ' HB2' ' A' ' 30' ' ' LYS . 59.8 m-85 -78.38 -15.8 58.31 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.5 -178.28 17.05 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.289 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 26' ' ' CYS . 6.3 t . . . . . 0 C--O 1.252 1.224 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.671 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.739 ' HA ' ' HG2' ' A' ' 23' ' ' GLN . 23.8 m-90 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.797 0.332 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.0 t -87.85 85.4 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -73.36 -70.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.5 p -109.47 31.74 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 0.0 111.68 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 p -115.78 7.35 14.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.318 0.58 . . . . 0.0 110.205 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.7 mt -83.81 69.18 10.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.096 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.25 10.83 32.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.675 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' CYS . 6.7 mp -84.6 56.1 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.841 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.21 81.41 0.01 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.843 0.714 . . . . 0.0 112.002 -174.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 96.8 m 60.84 44.07 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.141 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.9 m -77.73 -27.85 50.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.01 123.41 0.7 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.237 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 m -57.86 -47.3 83.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 52.1 pttt -64.06 -24.28 67.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.108 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -75.14 -35.22 61.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.414 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 79.8 m -85.49 -18.08 34.58 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.896 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.1 m-30 -55.23 -44.06 75.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.542 0.21 . . . . 0.0 111.522 177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.16 -53.6 46.29 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 77.3 Cg_exo -51.66 -43.34 51.43 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.305 2.003 . . . . 0.0 112.787 174.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 22.5 m -65.5 -39.3 91.72 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.731 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -58.62 -48.02 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -63.17 -28.79 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.861 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.739 ' HG2' ' HA ' ' A' ' 1' ' ' TRP . 39.8 mt-30 -77.67 -63.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.744 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 p -108.48 -30.12 8.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.31 -47.06 1.02 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.9 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 57.4 m -94.93 144.31 27.6 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 122.612 -0.346 . . . . 0.0 110.849 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -86.47 22.32 0.96 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.146 2.564 . . . . 0.0 113.017 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -82.94 108.25 16.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.56 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -148.8 158.22 44.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.985 0.421 . . . . 0.0 111.996 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -146.79 147.42 30.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 170.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 26.4 p -89.35 119.0 29.43 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.034 0.445 . . . . 0.0 110.895 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.5 mp -100.63 95.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.1 p30 43.15 17.98 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.884 1.674 . . . . 0.0 115.292 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 169.85 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 123.02 0.528 . . . . 0.0 110.06 -176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -112.26 128.78 56.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.195 0.522 . . . . 0.0 111.983 -171.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 92.0 m -75.12 99.26 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.003 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -85.82 126.58 34.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.153 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -79.39 148.07 32.13 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.184 176.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -79.82 23.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.91 70.64 0.99 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.405 -0.426 . . . . 0.0 112.916 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 36.6 t . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.61 -0.71 . . . . 0.0 109.284 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 34.6 p90 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.5 t -79.92 90.3 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.612 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -91.12 -3.99 56.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.425 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.6 m -117.19 -64.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.489 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.1 m 60.83 38.23 18.07 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.941 0.4 . . . . 0.0 111.24 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -88.85 -29.04 19.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.308 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -92.55 2.18 56.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.815 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' CYS . 20.5 tp -110.93 29.6 7.62 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.17 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.53 82.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 114.651 -1.159 . . . . 0.0 112.469 -173.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 7.1 t 58.57 44.33 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.972 -179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 m -77.56 -21.38 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.547 0.689 . . . . 0.0 109.356 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.9 127.19 0.91 Allowed Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.38 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -61.3 -48.26 82.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 21.6 pttp -62.97 -32.36 73.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.084 0.468 . . . . 0.0 110.508 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.39 -32.25 73.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.691 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 11.5 t -90.61 -20.02 23.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.143 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 6.1 m-30 -57.34 -45.79 83.97 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.727 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -61.33 -55.32 44.59 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-O 119.643 -0.217 . . . . 0.0 111.423 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 44.2 Cg_exo -58.75 -36.09 97.63 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.162 1.908 . . . . 0.0 112.523 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 41.9 t -63.75 -47.52 80.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 110.952 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -68.53 -26.36 65.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.222 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -80.47 -63.28 1.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.424 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -91.1 -31.74 16.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -171.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.96 -19.96 24.7 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -171.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -118.99 135.93 24.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -83.74 24.04 0.78 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.102 2.534 . . . . 0.0 113.51 -175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -86.9 96.2 10.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -134.64 165.11 25.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.685 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -156.96 149.38 23.22 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 29.4 p -87.79 113.74 23.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.882 0.372 . . . . 0.0 110.193 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.5 mp -102.62 111.75 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 174.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.0 m120 -19.04 80.99 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.506 1.754 . . . . 0.0 114.127 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 86.6 tttt 157.31 -52.16 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.483 1.115 . . . . 0.0 109.01 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 p -157.89 163.36 37.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.031 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 11.9 p -91.25 125.45 36.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -117.64 144.5 45.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.043 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 62.1 m -90.78 150.62 21.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.218 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.26 -8.92 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.404 0.621 . . . . 0.0 109.867 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.75 -174.85 23.86 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.266 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.736 -0.65 . . . . 0.0 109.481 178.617 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.455 0.169 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.7 p -72.48 120.34 17.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.286 0.565 . . . . 0.0 110.466 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -64.26 -23.99 67.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.974 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -100.3 38.36 1.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.314 0.578 . . . . 0.0 110.734 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.9 m -124.27 90.36 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.358 0.599 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.67 -162.46 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.303 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.64 61.61 3.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.153 0.502 . . . . 0.0 111.104 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 mp -84.37 31.43 0.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.757 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.84 83.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.927 0.767 . . . . 0.0 112.759 -172.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.838 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 4.1 t 61.96 37.91 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.715 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -79.28 -21.52 45.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.619 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.86 135.79 2.58 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.374 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.3 m -64.86 -42.59 94.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.944 0.402 . . . . 0.0 110.151 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.72 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 68.0 mttm -73.29 -28.87 62.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.123 0.487 . . . . 0.0 109.803 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.51 -32.25 72.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.338 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 77.0 m -80.48 -29.76 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.629 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 16.9 m-30 -55.72 -41.44 73.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.636 0.255 . . . . 0.0 111.532 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.76 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.22 -58.54 16.88 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.76 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 36.7 Cg_exo -61.89 -33.27 84.68 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.108 1.872 . . . . 0.0 112.253 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 52.4 t -62.53 -43.68 98.21 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.47 -39.13 93.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.174 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.89 -33.48 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.05 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -84.07 -58.9 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.323 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -91.46 -32.06 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -171.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.78 -20.99 37.55 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.415 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 73.2 m -100.63 138.49 20.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.725 0.297 . . . . 0.0 110.348 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 45.1 Cg_endo -91.32 18.16 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.895 2.397 . . . . 0.0 113.661 -174.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -104.04 118.02 35.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.012 0.435 . . . . 0.0 110.804 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -149.79 174.38 12.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.39 -176.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -148.88 142.72 25.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.838 ' HB2' ' HA ' ' A' ' 10' ' ' CYS . 22.2 p -99.34 131.29 45.46 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.159 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 pt -113.12 152.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 171.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 29.1 t-20 -67.31 79.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.032 0.444 . . . . 0.0 110.658 -176.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 33' ' ' ASN . 42.0 mttt 169.01 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 125.286 1.434 . . . . 0.0 108.979 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.6 t -163.2 166.5 23.24 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.81 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.478 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 57.5 m -87.91 118.74 27.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 172.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -105.96 161.84 14.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.758 0.314 . . . . 0.0 110.282 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.0 m -129.63 153.31 48.22 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -87.59 28.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.62 -63.9 4.14 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -165.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 169.538 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.475 0.655 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -84.67 146.58 27.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.674 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -90.92 34.97 0.9 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.388 0.613 . . . . 0.0 110.546 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -161.42 -135.29 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.703 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 60.0 m 77.9 82.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.325 0.583 . . . . 0.0 112.097 169.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.07 -61.27 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -160.53 90.35 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.56 ' CD2' ' HA ' ' A' ' 5' ' ' CYS . 4.2 mm? -80.77 23.73 0.52 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -171.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.478 ' HB2' ' HZ3' ' A' ' 34' ' ' LYS . . . -55.68 79.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.244 0.965 . . . . 0.0 111.875 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 t 50.01 52.92 13.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.999 -172.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 6.5 m -78.19 -6.39 54.68 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.781 0.8 . . . . 0.0 109.393 177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.58 130.12 2.35 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.881 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.5 -50.68 68.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -59.65 -30.47 68.76 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.62 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -68.95 -45.88 69.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.274 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 29.3 t -82.43 -19.74 38.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.036 -174.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -53.24 -41.25 65.25 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.26 -57.05 11.47 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.0 Cg_exo -56.83 -40.05 87.01 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.875 1.717 . . . . 0.0 112.412 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 30.4 t -62.15 -44.35 96.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.906 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.51 -39.89 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -64.81 -33.41 75.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.211 0.529 . . . . 0.0 110.123 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -73.91 -65.13 0.87 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.471 HG23 ' H ' ' A' ' 26' ' ' CYS . 11.1 t -109.0 0.56 20.07 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.47 -34.69 4.08 Favored Glycine 0 C--O 1.23 -0.145 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.015 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 28' ' ' ASN . 40.6 t -83.21 124.38 76.26 Favored Pre-proline 0 C--N 1.321 -0.664 0 C-N-CA 122.379 0.271 . . . . 0.0 110.394 -179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -87.16 13.67 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.908 2.405 . . . . 0.0 112.176 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 16.6 m120 -103.01 103.3 13.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.473 -177.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -134.49 159.76 40.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.788 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 40.2 mmtm -140.59 155.23 46.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.43 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 10' ' ' CYS . 28.1 p -101.99 100.51 10.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.496 -173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.1 pp -133.98 142.12 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.124 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 53.88 44.39 29.54 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 111.158 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 9.1 mtpm? 55.4 23.66 5.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.57 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 m -129.97 126.74 38.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.73 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.7 t -80.46 94.81 6.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 172.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -92.23 124.56 36.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.561 -176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.4 m -84.69 156.59 21.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.414 176.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.598 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 7.6 m-30 -78.64 -2.28 38.32 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.919 0.39 . . . . 0.0 111.068 -176.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.73 41.1 93.93 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.754 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.51 -178.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.7 m-90 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.709 0.29 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' N ' ' SG ' ' A' ' 5' ' ' CYS . 17.9 p -90.67 155.56 18.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.25 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -71.16 -22.9 61.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.045 0.45 . . . . 0.0 110.693 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.9 m -79.93 -17.72 52.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.58 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.633 ' HB3' ' HB3' ' A' ' 19' ' ' PRO . 3.9 p -109.53 29.0 7.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.289 0.566 . . . . 0.0 110.541 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.93 -70.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.48 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -95.73 95.43 8.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.399 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 5' ' ' CYS . 3.1 mm? -124.44 33.17 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.263 175.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.2 82.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.928 0.768 . . . . 0.0 112.193 -173.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LEU . 65.8 m 50.41 49.96 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.794 -176.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 p -78.0 -33.34 51.34 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.456 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.8 129.69 1.29 Allowed Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.19 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.2 t -54.56 -41.59 69.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.509 . . . . 0.0 109.832 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 20.6 ptmt -61.76 -25.3 67.37 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.477 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.897 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -81.29 -30.06 34.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.412 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.9 m-30 -45.34 -62.4 1.28 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.664 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -60.09 -52.03 76.26 Favored Pre-proline 0 CA--C 1.539 0.558 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 75.2 Cg_exo -54.43 -36.35 87.57 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.516 2.144 . . . . 0.0 113.176 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 65.2 m -69.7 -35.59 75.21 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.899 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -61.1 -42.46 98.56 Favored 'General case' 0 C--O 1.226 -0.148 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.19 -45.57 92.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.017 177.371 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.616 HE21 ' HB2' ' A' ' 5' ' ' CYS . 75.9 mt-30 -64.98 -59.43 4.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.027 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.971 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 40.9 p -119.86 -15.15 8.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -166.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.16 -29.72 11.5 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.953 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 87.2 m -94.58 125.25 52.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.709 0.29 . . . . 0.0 110.246 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -88.95 17.99 1.54 Allowed 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.159 2.573 . . . . 0.0 114.671 -171.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -95.93 140.63 30.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.883 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.631 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -160.72 142.83 12.56 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -125.94 148.96 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 42.9 t -100.99 130.87 47.05 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.149 -0.621 . . . . 0.0 112.191 -172.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' LYS . 2.0 mp -99.67 152.5 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 171.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -63.51 54.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 32' ' ' ILE . 5.7 ptpp? 174.26 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 123.49 0.716 . . . . 0.0 110.491 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.5 m -159.57 138.14 10.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.621 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.3 t -79.62 122.72 26.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.76 125.36 51.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.163 -170.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.85 158.02 29.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.992 -177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.68 12.72 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -169.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.3 136.66 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.971 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 6.6 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.955 -0.545 . . . . 0.0 109.662 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.905 0.383 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 47.9 t -90.25 108.48 19.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 110.589 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -72.64 -20.75 61.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.827 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t -99.04 12.1 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.231 0.539 . . . . 0.0 110.537 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.626 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 76.0 m -115.26 102.22 9.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -83.11 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -145.69 132.05 19.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.758 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 10' ' ' CYS . 70.1 mt -130.6 19.96 5.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.497 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 82.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.259 0.974 . . . . 0.0 111.743 -171.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 45.5 m 55.73 47.57 20.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.512 -175.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.64 -4.98 51.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.131 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.78 138.3 4.06 Favored Glycine 0 N--CA 1.442 -0.947 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -65.5 -47.62 75.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.466 0.633 . . . . 0.0 110.097 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.731 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 63.2 pttt -71.06 -23.11 62.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.394 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.37 -29.09 57.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 109.733 177.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 15.1 t -89.92 -22.27 22.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.093 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.731 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 8.2 m-30 -52.39 -57.1 10.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.23 -54.39 53.37 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 70.2 Cg_exo -54.59 -44.45 49.44 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.362 2.041 . . . . 0.0 112.721 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.7 t -61.89 -41.63 98.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.72 0.295 . . . . 0.0 110.709 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -64.29 -38.97 92.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.017 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -64.74 -37.57 88.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -74.49 -53.2 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.987 -0.552 . . . . 0.0 112.444 -175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -125.73 9.12 7.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -172.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.78 -17.52 10.99 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.976 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 47.6 t -84.75 122.43 74.63 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.587 0.232 . . . . 0.0 110.985 -176.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -85.06 14.45 2.48 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.816 2.344 . . . . 0.0 112.371 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 9.3 m120 -113.11 99.51 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.266 0.555 . . . . 0.0 110.855 178.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.87 125.38 43.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.657 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -121.67 119.44 31.82 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.72 105.86 14.09 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.135 0.493 . . . . 0.0 110.157 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.9 pp -121.49 143.83 32.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.728 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 59.24 27.9 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 55.9 mtmt 70.16 24.41 4.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.198 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 m -135.96 132.78 36.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.78 111.62 6.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.957 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -109.02 119.18 38.78 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.41 146.35 24.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.266 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' ASN . 45.1 m-85 -78.5 -7.94 58.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.455 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.78 -45.99 3.57 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.451 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 68.6 m . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.014 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.777 0.322 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.8 t -88.71 155.62 19.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.587 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -53.63 -55.47 25.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 110.537 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.8 p -123.76 -80.54 0.63 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.09 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m 50.45 63.66 2.12 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.409 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -79.13 -58.52 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 173.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -156.57 122.2 4.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.131 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' CYS . 79.4 mt -93.43 47.54 1.25 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.212 -174.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.19 83.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.985 0.803 . . . . 0.0 112.162 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 36.4 m 59.38 52.23 6.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.016 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 8' ' ' LEU . 37.0 p -80.87 -3.8 52.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.397 169.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 15' ' ' ASP . . . 117.97 126.94 3.73 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -174.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.9 m -60.29 -43.76 95.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.208 0.504 . . . . 0.0 110.07 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.68 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 49.1 pttt -64.21 -23.78 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.202 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 12' ' ' GLY . 31.5 t70 -74.36 -48.31 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.524 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 73.0 m -59.44 -28.75 67.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.37 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.8 m-30 -51.47 -40.94 60.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.08 -59.64 10.72 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -175.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 13.6 Cg_exo -69.84 -26.43 27.21 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.056 1.837 . . . . 0.0 111.33 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.73 -53.15 59.96 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 41.7 ttt180 -62.1 -49.05 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 176.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -55.28 -38.57 68.76 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.175 -176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -100.81 -48.95 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 p -84.31 -26.7 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.02 -173.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -23.33 34.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.196 -176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 89.7 m -112.55 133.54 21.82 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 120.635 0.255 . . . . 0.0 110.411 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 29.8 Cg_endo -90.91 25.13 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.29 2.66 . . . . 0.0 113.476 -175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.79 109.11 19.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.106 0.479 . . . . 0.0 111.412 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.617 ' H ' ' HE1' ' A' ' 17' ' ' TYR . . . -139.47 167.21 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.349 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -160.53 140.61 11.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 15.2 t -93.11 103.0 15.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.502 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 37' ' ' LYS . 1.1 pp -118.22 129.52 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.426 177.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 61.36 34.81 18.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 109.986 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 84.1 mttt 68.23 6.1 5.08 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.647 -176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -101.84 103.06 13.74 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.9 t -83.35 95.6 8.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.532 ' HG2' HD11 ' A' ' 32' ' ' ILE . 38.6 pttt -107.38 159.67 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.205 -173.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 98.1 m -102.8 142.33 34.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.236 173.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -79.51 -7.09 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.958 0.408 . . . . 0.0 110.847 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.65 -178.48 52.44 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.998 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.7 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.35 -179.331 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.5 0.19 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 9.2 p -91.4 81.34 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.178 0.513 . . . . 0.0 110.12 176.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -51.27 -38.38 52.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.033 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -117.36 53.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.88 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.49 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 22.1 p -113.99 -25.66 8.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 175.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 7' ' ' ASP . 3.2 pp -79.59 -26.12 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.042 -173.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.451 ' N ' HD12 ' A' ' 6' ' ' LEU . 30.2 t70 -110.48 27.8 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.9 0.857 . . . . 0.0 109.739 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' A' ' 11' ' ' THR . 16.0 tp -118.16 18.53 13.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.607 0.717 . . . . 0.0 109.835 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.71 86.26 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.468 -1.242 . . . . 0.0 111.156 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m 65.3 37.36 6.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.759 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.549 ' HB ' HD12 ' A' ' 8' ' ' LEU . 27.6 m -78.86 -31.45 45.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' ASP . . . 172.88 127.9 1.01 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.3 p -63.13 -41.47 99.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.16 0.48 . . . . 0.0 110.969 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.6 ptpt -62.46 -29.45 70.54 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 110.321 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.441 ' HB3' HD11 ' A' ' 8' ' ' LEU . 10.7 m-20 -68.96 -46.73 67.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.785 173.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.16 -33.3 69.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.526 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.2 m-30 -52.77 -40.58 63.29 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.755 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -66.57 -58.54 9.85 Favored Pre-proline 0 CA--C 1.541 0.597 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 27.0 Cg_exo -63.35 -31.23 73.19 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.143 1.895 . . . . 0.0 111.921 177.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 42.7 t -62.63 -47.38 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.053 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.625 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 50.9 ttp180 -65.16 -39.22 92.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.633 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.58 -35.1 76.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.79 -61.87 1.72 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.9 t -107.01 1.11 24.13 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 21' ' ' ARG . . . 87.71 -37.21 3.26 Favored Glycine 0 C--O 1.229 -0.205 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.621 174.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.1 m -102.77 115.8 63.66 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.625 ' HB3' ' HB2' ' A' ' 21' ' ' ARG . 58.6 Cg_endo -80.68 28.13 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.452 2.768 . . . . 0.0 114.077 -170.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.5 HD22 ' HD2' ' A' ' 39' ' ' TYR . 5.7 p-10 -99.48 108.24 20.64 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.517 0.675 . . . . 0.0 110.518 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -141.46 156.12 45.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.591 -175.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -132.0 128.66 38.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 14.3 p -81.74 142.72 32.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.509 0.671 . . . . 0.0 111.737 -171.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' LYS . 26.7 pt -124.24 158.57 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -65.29 74.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.256 0.551 . . . . 0.0 111.519 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' ILE . 39.8 ttmt 172.5 -47.5 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.603 -1.18 . . . . 0.0 108.56 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.6 m -160.6 168.88 24.04 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.261 -173.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 36.0 m -88.25 105.11 17.33 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.35 109.49 15.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.184 0.516 . . . . 0.0 110.972 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.2 m -81.27 149.23 29.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.339 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.5 ' HD2' HD22 ' A' ' 28' ' ' ASN . 63.9 m-85 -85.17 14.38 5.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.78 -61.09 4.07 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -172.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.249 1.055 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.182 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 23' ' ' GLN . 89.0 m95 . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.524 0.202 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.522 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 20.7 p -90.71 98.87 12.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.727 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 p -84.98 2.69 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.267 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 68.1 m -85.64 56.23 3.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.259 0.552 . . . . 0.0 110.852 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.48 -59.29 2.27 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -147.03 122.08 10.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.658 173.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 1.1 pt? -141.74 24.85 2.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.307 0.575 . . . . 0.0 110.484 -178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 86.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.11 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.0 m 67.83 46.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.686 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -86.43 11.57 12.16 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.966 0.888 . . . . 0.0 108.947 173.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.18 121.45 3.96 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.236 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 p -59.27 -39.29 82.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.428 0.632 . . . . 0.0 110.304 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 84.8 mttt -75.1 -11.4 60.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.36 -44.64 12.63 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 170.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 75.1 m -61.69 -22.06 65.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.653 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 27' ' ' PRO . 12.1 m-30 -47.61 -40.91 20.65 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 123.205 0.316 . . . . 0.0 111.381 173.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.734 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -69.13 -57.84 6.96 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 119.263 -0.398 . . . . 0.0 111.916 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 78.3 Cg_exo -52.83 -45.9 37.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.429 2.086 . . . . 0.0 112.907 176.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 29' ' ' ALA . 87.8 m -64.0 -43.64 95.07 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.511 0.196 . . . . 0.0 110.942 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HB2' ' HB3' ' A' ' 27' ' ' PRO . 25.0 ttt180 -61.87 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' A' ' 2' ' ' CYS . 53.0 tttp -65.78 -38.54 89.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.626 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.855 ' HA ' ' HB2' ' A' ' 1' ' ' TRP . 56.0 tp60 -75.92 -53.95 7.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.999 -176.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.709 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 45.2 p -110.59 -22.46 11.62 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.66 -35.72 4.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.811 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 64.1 m -97.72 123.62 51.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 17' ' ' TYR . 74.1 Cg_endo -75.03 -24.02 13.18 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.733 2.289 . . . . 0.0 113.627 -174.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -56.28 123.04 13.25 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.041 0.448 . . . . 0.0 112.127 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.517 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . . . -152.28 169.84 21.5 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.732 -176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HE3' ' OH ' ' A' ' 39' ' ' TYR . 38.2 ttmt -149.65 138.08 20.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.81 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 3.2 p -88.36 136.34 33.03 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.171 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 pt -118.73 159.03 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 19.5 m120 -68.4 74.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.397 0.435 . . . . 0.0 111.257 -175.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' ASN . 28.3 tptp 168.73 -43.89 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 124.202 1.001 . . . . 0.0 109.113 -177.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 p -162.75 160.51 25.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.355 -174.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.1 t -91.53 110.51 21.83 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -103.85 133.79 48.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.072 0.463 . . . . 0.0 111.105 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.2 m -79.9 162.88 24.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.4 ' OH ' ' HE3' ' A' ' 30' ' ' LYS . 30.0 m-85 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.706 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.34 143.02 13.87 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.049 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 34.9 t . . . . . 0 C--O 1.249 1.029 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.024 0.44 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.5 t -80.58 101.4 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 0.0 110.994 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -91.16 9.1 32.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.98 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.1 m -150.45 80.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.897 0.38 . . . . 0.0 111.23 -177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.6 p -170.15 60.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.113 0.482 . . . . 0.0 110.563 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 tp -83.47 -74.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.919 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -124.24 77.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.9 mp -103.96 40.83 1.37 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.466 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.6 82.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.885 0.741 . . . . 0.0 111.58 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.595 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.8 m 57.77 47.31 15.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.887 -174.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -80.21 -14.58 58.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.292 173.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.15 125.08 1.48 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.384 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.3 m -57.41 -40.29 77.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.26 0.53 . . . . 0.0 110.96 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 17' ' ' TYR . 67.8 mttm -76.4 -15.59 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.742 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.96 -29.25 43.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 59.9 m -79.39 -21.33 45.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.021 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 14' ' ' LYS . 3.8 m-30 -45.01 -55.03 5.92 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.565 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.74 -56.66 30.43 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.297 -175.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 66.4 Cg_exo -53.91 -46.95 29.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.248 1.966 . . . . 0.0 112.928 177.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.8 m -66.1 -37.34 85.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.287 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -68.57 -39.88 80.81 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -56.76 -45.5 82.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.045 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.66 -54.61 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.423 -177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.5 p -90.8 -39.87 12.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -171.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.37 -16.8 24.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.411 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.3 m -112.8 137.73 21.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.691 0.282 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -82.9 17.83 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.984 2.456 . . . . 0.0 113.387 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -79.6 100.63 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.776 0.322 . . . . 0.0 110.202 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.6 154.85 45.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.428 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -151.14 156.45 41.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.595 ' CB ' ' HA ' ' A' ' 10' ' ' CYS . 16.2 p -96.27 147.98 23.22 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.272 -0.571 . . . . 0.0 111.159 -177.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 pt -122.86 165.23 19.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -69.54 61.01 0.15 Allowed 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -171.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 177.21 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.679 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 p -161.41 178.79 8.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.094 0.474 . . . . 0.0 111.331 -170.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 58.3 m -91.97 136.55 33.07 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 175.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -111.43 143.46 42.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.3 m -104.38 144.42 31.66 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.428 ' N ' ' HD1' ' A' ' 39' ' ' TYR . 1.3 m-30 -79.21 -18.61 52.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.411 0.624 . . . . 0.0 109.872 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.92 -164.37 12.35 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.255 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 t . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.751 -179.698 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 20.3 t-105 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 6.4 p -92.81 125.49 37.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.093 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -77.66 -34.8 52.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.435 0.636 . . . . 0.0 109.481 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 7' ' ' ASP . 61.0 m -136.75 103.74 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.408 176.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 5.8 p -140.48 -60.53 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.837 0.351 . . . . 0.0 111.6 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.6 pt? -87.98 4.75 43.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.576 0.703 . . . . 0.0 109.261 177.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HB2' HG23 ' A' ' 4' ' ' THR . 2.1 m-20 -88.54 -2.0 58.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.27 -177.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD12 ' HB ' ' A' ' 11' ' ' THR . 3.0 mm? -88.23 53.37 2.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.007 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.37 82.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.05 0.844 . . . . 0.0 111.472 -177.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.7 m 54.5 47.49 22.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.837 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.45 ' HB ' HD12 ' A' ' 8' ' ' LEU . 14.8 m -86.19 -13.52 46.73 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.265 173.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.01 124.03 1.84 Allowed Glycine 0 N--CA 1.44 -1.05 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.539 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -56.2 -46.26 79.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.608 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 18.1 ptpt -62.67 -26.33 68.59 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.202 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -75.67 -43.7 46.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.342 0.591 . . . . 0.0 109.703 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.6 t -81.68 -8.84 59.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.937 -175.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.608 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 7.6 m-30 -44.36 -53.67 6.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.578 0.227 . . . . 0.0 111.531 173.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.49 -57.12 24.25 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -175.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 59.6 Cg_exo -53.89 -45.99 36.95 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.318 2.012 . . . . 0.0 112.776 178.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.2 t -61.21 -46.88 88.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.358 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 21' ' ' ARG . 31.3 ttt180 -64.75 -40.14 94.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.898 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -64.7 -39.23 93.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.628 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -77.87 -55.25 5.47 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -92.61 -40.43 10.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.927 0.394 . . . . 0.0 111.956 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.63 -17.64 23.09 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.443 -172.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 44.5 t -86.34 127.05 62.68 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.662 0.267 . . . . 0.0 110.916 -178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.76 10.64 3.61 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.848 2.365 . . . . 0.0 112.817 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -116.52 111.57 20.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.052 0.453 . . . . 0.0 110.72 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.99 137.18 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -133.93 129.62 36.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.38 120.47 26.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.234 0.54 . . . . 0.0 111.184 -173.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.528 HD11 ' HG3' ' A' ' 37' ' ' LYS . 40.5 pt -132.16 140.56 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.266 176.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 35' ' ' SER . 16.8 m120 49.26 49.66 19.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.43 0.456 . . . . 0.0 110.274 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.671 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 32.2 mtmm 70.99 -28.65 0.18 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.126 0.97 . . . . 0.0 112.265 -176.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 33' ' ' ASN . 33.0 t -81.67 124.63 29.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.862 0.363 . . . . 0.0 111.675 -170.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.73 100.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 168.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.528 ' HG3' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -95.25 124.29 39.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.14 0.495 . . . . 0.0 110.648 -175.151 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 79.9 m -89.28 144.75 25.85 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.155 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -79.25 1.13 25.87 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.51 92.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.934 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 26.5 m . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.21 -173.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 51.8 t -90.43 115.66 27.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -78.35 -7.69 57.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.012 0.434 . . . . 0.0 111.684 -175.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -119.01 20.82 12.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.459 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 80.1 m -123.54 49.25 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.24 -3.77 15.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.699 178.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -100.28 56.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -173.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' CYS . 7.0 mp -107.73 47.76 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.1 176.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.07 83.06 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.298 -0.864 . . . . 0.0 112.183 -174.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LEU . 42.8 m 57.04 49.58 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.633 -176.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -78.01 -10.07 59.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.671 171.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.18 131.94 3.71 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.9 176.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 p -62.6 -42.05 99.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.509 0.655 . . . . 0.0 109.6 178.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.8 ptmm? -52.14 -36.0 50.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.085 173.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.01 -40.58 24.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.623 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 98.8 m -62.3 -28.09 69.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.627 178.458 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 21.8 m-30 -57.54 -33.79 68.46 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.559 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -65.42 -61.45 5.94 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 3.8 Cg_exo -73.93 -26.43 13.2 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.059 1.84 . . . . 0.0 110.614 -177.093 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.625 ' O ' HG22 ' A' ' 24' ' ' THR . 36.4 t -61.42 -57.58 11.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 176.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 2.7 tmt_? -59.39 -42.92 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -61.96 -33.84 75.04 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.592 -178.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -92.18 -60.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.773 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 20' ' ' CYS . 14.9 t -93.23 -5.07 50.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.964 -170.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.25 -43.25 2.14 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.435 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' GLY . 33.6 m -103.9 133.29 20.34 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.071 0.462 . . . . 0.0 111.127 -178.106 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -84.96 35.99 0.55 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 123.762 2.974 . . . . 0.0 113.182 -178.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.14 101.34 10.75 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.115 0.483 . . . . 0.0 110.707 177.165 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.56 151.8 41.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.47 -179.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -145.07 137.86 26.28 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 p -94.43 119.44 33.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.607 0.717 . . . . 0.0 110.091 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.41 131.04 57.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.84 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 60.71 36.23 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.018 0.437 . . . . 0.0 110.049 -177.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 67.4 12.51 8.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.902 -178.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.6 t -110.31 110.69 21.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.0 t -82.66 95.55 7.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -99.75 126.23 45.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.194 -172.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.1 m -79.76 145.3 32.95 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.533 172.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -84.94 9.78 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.069 0.461 . . . . 0.0 110.425 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 26' ' ' CYS . . . 81.93 -148.27 27.05 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -177.5 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.324 178.778 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.552 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 5.8 p -90.92 140.42 29.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.595 175.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.71 ' HB3' ' HB2' ' A' ' 19' ' ' PRO . 1.3 p -83.8 -11.58 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -175.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 p -93.1 -32.31 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.361 . . . . 0.0 111.546 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -15.08 52.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.286 0.565 . . . . 0.0 110.449 -178.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 8' ' ' LEU . 59.5 tp -120.71 123.71 43.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.575 178.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.33 87.47 7.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 6' ' ' LEU . 5.3 mp -83.9 57.57 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.895 176.195 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.38 85.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.742 0.651 . . . . 0.0 111.468 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 31' ' ' CYS . 20.9 m 54.78 47.03 23.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.97 -175.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -78.48 -8.24 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 170.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.55 119.38 1.95 Allowed Glycine 0 N--CA 1.434 -1.435 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.8 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -60.8 -34.54 74.67 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 66.7 mttm -56.26 -40.13 73.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.419 174.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -70.05 -48.98 55.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.683 179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 76.3 m -67.93 -18.18 64.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.688 -174.526 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 15.2 m-85 -52.35 -46.47 66.13 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.598 0.237 . . . . 0.0 111.05 176.149 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -64.06 -58.15 15.57 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.226 -176.031 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.3 Cg_exo -60.32 -38.91 71.82 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.75 . . . . 0.0 112.423 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' O ' HG22 ' A' ' 24' ' ' THR . 47.0 t -65.63 -47.03 76.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.346 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -63.38 -41.96 98.81 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -65.66 -33.83 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.534 -179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.552 ' NE2' ' HB2' ' A' ' 2' ' ' CYS . 44.2 mt-30 -75.59 -61.52 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.936 0.346 . . . . 0.0 111.936 179.685 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 20' ' ' CYS . 14.8 t -95.74 -30.27 13.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 -171.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.89 -41.54 1.64 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.676 -177.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 41' ' ' CYS . 61.0 m -105.82 139.45 20.24 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.755 -0.262 . . . . 0.0 110.686 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -83.47 26.47 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.252 2.634 . . . . 0.0 113.042 -177.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -76.45 78.52 3.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.16 130.86 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 -179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -125.24 129.18 49.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -79.45 120.88 24.48 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.68 0.752 . . . . 0.0 110.341 -179.468 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 35' ' ' SER . 24.9 pt -103.44 163.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 170.182 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -45.23 -35.88 3.61 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -170.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -100.12 -25.87 14.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' HG12 ' A' ' 32' ' ' ILE . 25.1 m -159.07 165.09 34.69 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 121.72 -0.612 . . . . 0.0 111.955 -168.273 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 32.7 m -91.16 105.43 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 169.192 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -92.04 117.09 29.5 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.156 -173.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.5 m -85.43 143.46 28.58 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.707 176.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.53 1.02 23.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.707 0.289 . . . . 0.0 111.67 -174.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.28 105.14 0.19 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.191 178.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 26' ' ' CYS . 38.8 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.863 -177.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 81.4 m95 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.593 0.235 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.7 p -90.58 114.16 26.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 111.583 -174.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 m -77.62 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.299 0.571 . . . . 0.0 110.088 176.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -78.57 -17.43 56.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.378 175.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.671 ' HB3' HD11 ' A' ' 8' ' ' LEU . 63.3 m -83.37 73.76 10.13 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.172 175.367 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -77.75 -56.51 4.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.9 -176.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.37 125.52 38.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.183 0.516 . . . . 0.0 109.984 174.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 5' ' ' CYS . 5.3 mp -107.12 7.63 29.73 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.506 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 34' ' ' LYS . . . -61.73 77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.212 -1.813 . . . . 0.0 111.558 -175.229 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 36.2 m 61.02 50.62 4.94 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.797 -171.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 t -78.85 -16.09 57.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.149 172.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.16 139.32 4.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.0 -179.033 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.4 p -62.55 -49.93 73.34 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.638 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 29.5 mmtp -61.43 -40.5 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.805 178.63 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.2 -33.33 75.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.025 -178.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.86 -20.69 23.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.891 -175.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.638 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 11.3 m-85 -50.06 -50.29 48.44 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 179.004 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.753 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -62.08 -57.75 21.78 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.155 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 36.5 Cg_exo -60.49 -40.31 58.18 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.171 1.914 . . . . 0.0 112.673 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.02 -44.79 94.37 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.656 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 60.2 ttt180 -66.9 -38.83 87.01 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.467 177.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.648 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -86.65 -58.15 2.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.57 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -95.22 -30.99 13.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -173.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.93 -8.96 50.8 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -171.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.1 t -91.16 116.54 66.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.724 0.297 . . . . 0.0 110.213 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 87.6 Cg_endo -85.39 12.74 2.97 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.781 2.321 . . . . 0.0 113.282 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -120.68 118.56 30.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 0.0 110.493 -179.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.555 ' HB1' ' SG ' ' A' ' 36' ' ' CYS . . . -145.32 156.27 43.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.571 -178.584 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 61.9 tttm -150.59 139.39 20.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -88.11 132.77 34.19 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.982 -176.751 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 pt -137.86 139.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.537 175.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 m120 47.26 40.83 11.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.656 0.382 . . . . 0.0 111.803 -178.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.644 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 28.3 mtpp 54.89 47.27 22.63 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.019 -174.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.4 p -151.78 125.6 9.07 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 170.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.555 ' SG ' ' HB1' ' A' ' 29' ' ' ALA . 49.4 t -76.39 113.03 13.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.461 -178.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 30' ' ' LYS . 13.1 ptmm? -89.59 135.68 33.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.2 m -104.12 145.76 29.72 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -78.09 0.37 24.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.74 -172.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.65 39.86 93.98 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.796 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.469 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 80.8 m . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.236 -177.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 1.089 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 6.4 m95 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.021 0.438 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -72.22 -171.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.926 178.244 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -90.06 -76.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.966 0.412 . . . . 0.0 111.4 -178.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -81.41 -28.09 34.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.505 -179.162 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.8 m 49.55 59.08 4.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.475 0.655 . . . . 0.0 112.268 174.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.83 -66.51 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.389 172.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.437 ' C ' HD12 ' A' ' 8' ' ' LEU . 32.6 t70 -139.68 134.36 31.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.262 171.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 7' ' ' ASP . 7.4 mp -121.98 1.6 9.84 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.496 0.665 . . . . 0.0 110.322 178.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 34' ' ' LYS . . . -60.69 82.92 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.279 -172.681 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 12' ' ' GLY . 92.3 m 60.86 51.35 4.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.289 -175.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -79.79 21.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.281 0.562 . . . . 0.0 110.782 174.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . 100.64 130.67 7.11 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -173.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -59.35 -45.73 90.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.023 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 22.6 pttp -63.92 -14.86 56.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.414 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -86.7 -57.07 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.853 0.358 . . . . 0.0 110.044 175.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t -69.09 -15.9 63.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.238 -170.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 14.6 m-85 -50.75 -43.66 58.25 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.543 173.146 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.02 -58.62 8.94 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.776 -176.005 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 49.5 Cg_exo -57.47 -37.77 96.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 C-N-CA 122.03 1.82 . . . . 0.0 112.669 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.3 t -62.79 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.44 -37.74 87.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 175.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 18' ' ' ALA . 8.6 mtpm? -62.73 -38.59 91.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.28 178.031 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 1.089 ' HG2' ' HB2' ' A' ' 1' ' ' TRP . 23.9 mt-30 -82.34 -52.58 6.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.805 -177.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.899 ' HB ' ' HB3' ' A' ' 41' ' ' CYS . 80.7 p -94.43 -29.77 14.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 -14.88 50.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.591 -173.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.92 129.21 25.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -82.64 19.89 1.22 Allowed 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.995 2.463 . . . . 0.0 113.09 -176.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -89.77 91.6 8.7 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.958 0.408 . . . . 0.0 111.005 -178.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.35 166.26 18.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 31' ' ' CYS . 49.4 tttm -159.53 161.04 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.624 177.169 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 30' ' ' LYS . 1.8 t -96.94 118.36 33.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.823 179.181 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 pt -140.9 140.98 32.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.178 172.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 52.3 42.6 31.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.254 177.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 59.7 mttp 54.38 36.93 26.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.996 -177.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -148.42 148.73 30.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 176.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.9 t -90.71 128.22 36.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.803 0.335 . . . . 0.0 110.127 178.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -119.65 153.6 35.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.217 178.099 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.05 150.51 27.07 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -78.94 2.63 19.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 111.671 -175.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.48 130.65 6.76 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.247 177.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.899 ' HB3' ' HB ' ' A' ' 24' ' ' THR . 22.7 t . . . . . 0 C--O 1.247 0.952 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 -179.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 10.6 m0 . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.645 0.259 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.8 p -92.43 117.59 30.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.893 0.378 . . . . 0.0 110.787 178.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -72.91 -23.59 60.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.671 -179.205 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -83.59 23.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.471 0.653 . . . . 0.0 110.83 177.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 19' ' ' PRO . 92.0 m -113.13 57.02 0.67 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.69 0.757 . . . . 0.0 110.181 177.508 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.9 tp -114.82 -37.28 4.24 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.198 174.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 56.83 3.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.83 177.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' CYS . 1.3 pp -116.02 19.85 14.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.282 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.628 ' HA ' ' O ' ' A' ' 34' ' ' LYS . . . -55.65 83.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.627 -175.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' SG ' ' HA ' ' A' ' 34' ' ' LYS . 1.3 m 53.22 58.35 5.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.713 -172.542 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 15' ' ' ASP . 8.8 t -78.04 6.26 8.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.31 178.288 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.61 137.03 8.99 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 p -55.68 -46.22 77.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.191 0.495 . . . . 0.0 111.202 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 10.1 ptpp? -64.74 -21.18 66.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -178.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.606 ' HB3' HG23 ' A' ' 11' ' ' THR . 13.7 t70 -88.71 -40.36 13.31 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 84.4 m -60.14 -26.82 66.57 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.023 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 14' ' ' LYS . 20.6 m-30 -53.67 -37.01 62.76 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.57 176.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -67.91 -57.95 8.77 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.9 -177.055 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 66.2 Cg_exo -54.35 -44.34 50.39 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.236 1.958 . . . . 0.0 112.3 175.49 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -59.24 -44.51 92.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 -179.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.541 ' HD2' ' HB3' ' A' ' 27' ' ' PRO . 63.1 ttt180 -65.0 -42.92 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.451 178.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.49 -22.22 64.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -97.45 -52.71 3.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -91.18 -31.52 16.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.849 0.357 . . . . 0.0 111.71 -174.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.25 -9.79 57.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.426 -171.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.0 m -114.9 130.24 24.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' HB3' ' HD2' ' A' ' 21' ' ' ARG . 27.6 Cg_endo -89.41 28.14 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 123.375 2.716 . . . . 0.0 114.227 -172.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' ND2' ' HB2' ' A' ' 39' ' ' TYR . 19.5 p-10 -112.89 108.95 18.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.565 0.698 . . . . 0.0 112.024 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . . . -143.64 162.24 36.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.296 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -140.97 130.17 23.51 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 178.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -82.79 115.31 21.63 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.987 -178.697 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 pt -132.83 141.26 45.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.713 176.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 54.77 34.71 22.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.477 0.485 . . . . 0.0 110.012 -174.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 9' ' ' ALA . 56.8 mtpt 64.78 14.87 9.46 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.044 -178.53 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 14.4 m -116.34 131.31 56.98 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 67.7 m -75.12 84.11 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 109.954 177.29 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.92 122.77 29.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.959 -175.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 29' ' ' ALA . 78.1 m -78.87 153.01 30.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 -177.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.465 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 96.9 m-85 -79.41 -2.5 42.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.434 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 141.45 10.91 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.841 178.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.31 -179.196 . . . . . . . . 0 0 . 1 stop_ save_